SCHEMBL278031

SCHEMBL278031

Cc1ccc(C)c(-c2cc(Cl)ccc2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 4/20 0.45
IDO1 P14902 2/20 0.42
CYP3A4 P08684 1/20 0.42
PLA2G7 Q13093 1/20 0.42
RAPGEF4 Q8WZA2 2/20 0.41
TP53 P04637 1/20 0.39
HTR2B P41595 1/20 0.39
PDE4D Q08499 1/20 0.39
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
CCNA1 P78396 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPN11 Q06124 1/20 0.37
ALKBH3 Q96Q83 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13176724 0.92 CYP3A4 (0.48) S1PR4IDO1CYP3A4PLA2G7RAPGEF4
SCHEMBL10343150 0.92 PLA2G7 (0.47) S1PR4CYP3A4PLA2G7TP53ALKBH3
SCHEMBL7846062 0.84 S1PR4 (0.45) S1PR4CYP3A4RAPGEF4TP53HTR2B
SCHEMBL20383160 0.82 CYP3A4 (0.56) IDO1CYP3A4PLA2G7RAPGEF4TP53
SCHEMBL12189590 0.82 HSD11B1 (0.44) S1PR4IDO1RAPGEF4TP53HTR2B
SCHEMBL22851199 0.81 IDO1 (0.40) S1PR4IDO1CYP3A4PLA2G7RAPGEF4
SCHEMBL22851454 0.81 PLA2G7 (0.40) S1PR4CYP3A4PLA2G7TP53ALKBH3
SCHEMBL14744510 0.81 PLA2G7 (0.66) IDO1CYP3A4PLA2G7TP53HTR2B
SCHEMBL3943896 0.78 RAPGEF4 (0.47) S1PR4IDO1CYP3A4RAPGEF4TP53
SCHEMBL701921 0.78 ACHE (0.47) CYP3A4SMN1; SMN2AGPAT2SLC9A1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 118 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11247969-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-02-15 US disclosed
US-20200290966-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-09-17 US disclosed
US-10570092-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-02-25 US disclosed
US-10343995-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-07-09 US disclosed
US-20190047957-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-02-14 US disclosed
US-10106503-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-10-23 US disclosed
US-20180179161-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-06-28 US disclosed
US-9926272-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-03-27 US disclosed
US-20170204061-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-07-20 US disclosed
US-9452161-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-09-27 US disclosed
WO-2005087737-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 WO disclosed
US-20050203133-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 US disclosed
US-20050203134-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 US disclosed
US-20050203139-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 US disclosed
US-20050203167-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 US disclosed
US-20050203138-A1 Biphenylylaminocarbonyl-amino- or -oxypiperidine derivatives, e.g., biphenyl-2-ylcarbamic acid 1-[2-((4-[(4-hydroxybenzylamino)methyl]benzoyl)methylamino)ethyl]piperidin-4-yl ester; treating bronchodilation, asthma and chronic obstructive pulmonary disease (COPD) THERAVANCE, INC. 2005-09-15 US disclosed
EP-0187520-B1 WATER-SOLUBLE DYE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-24 EP disclosed
US-4777248-A Water-soluble non-reactive triazinyl mono-azo dye for ink jet printing IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-11 US disclosed
US-4726844-A LIGHTFASTNESS CANON KABUSHIKI KAISHA (JP) 1988-02-23 US disclosed
EP-0187520-A2 Water-soluble dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-07-16 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11247969-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 S1PR4 632/4885IDO1 1456/4885CYP3A4 935/4885
US-20170204061-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 S1PR4 632/4885IDO1 1456/4885CYP3A4 935/4885
US-20050203133-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 S1PR4 632/4885IDO1 1456/4885CYP3A4 935/4885
US-20050203167-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 S1PR4 784/4885IDO1 1051/4885CYP3A4 1064/4885
US-20190047957-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 S1PR4 632/4885IDO1 1456/4885CYP3A4 935/4885
US-10343995-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 S1PR4 632/4885IDO1 1456/4885CYP3A4 935/4885
US-10570092-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 S1PR4 632/4885IDO1 1456/4885CYP3A4 935/4885
US-20050203138-A1 Biphenylylaminocarbonyl-amino- or -oxypiperidine derivatives, e.g., biphenyl-2-ylcarbamic acid 1-[2-((4-[(4-hydroxybenzylamino)methyl]benzoyl)methylamino)ethyl]piperidin-4-yl ester; treating bronchodilation, asthma and chronic obstructive pulmonary disease (COPD) CHRM1, CHRM2, CHRM3 S1PR4 374/4885IDO1 813/4885CYP3A4 388/4885
US-10106503-B2 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 S1PR4 632/4885IDO1 1456/4885CYP3A4 935/4885
US-20050203139-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 S1PR4 487/4885IDO1 1256/4885CYP3A4 656/4885
US-20200290966-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 S1PR4 632/4885IDO1 1456/4885CYP3A4 935/4885
US-20050203134-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 S1PR4 543/4885IDO1 1678/4885CYP3A4 900/4885
US-20180179161-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 S1PR4 632/4885IDO1 1456/4885CYP3A4 935/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.