SCHEMBL1174899

SCHEMBL1174899

CCc1cc(C(=O)OC(C)(C)C)cc(C)c1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
MRGPRX4 Q96LA9 3/20 0.43
PTGER4 P35408 2/20 0.43
PTGER3 P43115 2/20 0.43
PTGER2 P43116 2/20 0.43
PTGER1 P34995 1/20 0.43
SLC7A5 Q01650 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXRA P19793 3/20 0.41
RXRB P28702 3/20 0.41
RXRG P48443 2/20 0.41
GLRA1 P23415 1/20 0.41
PTPN1 P18031 1/20 0.41
NR4A2 P43354 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NR4A1 P22736 1/20 0.40
NR4A3 Q92570 1/20 0.40
PPARG P37231 1/20 0.39

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
SCHEMBL262674 0.86 MEN1 (0.56) LMNAHPGDMRGPRX4PTGER4PTGER3
SCHEMBL261974 0.80 MAPT (0.50) LMNAHPGDMRGPRX4PTGER4PTGER3
SCHEMBL10253000 0.78 SMPD1 (0.44) LMNAHPGDMRGPRX4SLC7A5RXRA
SCHEMBL3092429 0.78 LMNA (0.45) LMNAHPGDMRGPRX4PTGER4PTGER3
SCHEMBL7637040 0.77 LMNA (0.49) LMNAHPGDMRGPRX4PTGER4PTGER3
SCHEMBL262646 0.77 MEN1 (0.63) LMNAHPGDMRGPRX4PTGER4PTGER3
SCHEMBL7629161 0.77 LMNA (0.47) LMNAHPGDMRGPRX4PTGER4PTGER3
SCHEMBL12377619 0.76 TDP1 (0.60) LMNAHPGDKMT2AGLRA1PTPN1
Hydrochloric Acid SCHEMBL16143479 0.76 MEN1 (0.61) LMNAHPGDMRGPRX4PTGER4PTGER3
SCHEMBL2086116 0.76 PTGER4 (0.43) LMNAHPGDMRGPRX4PTGER4PTGER3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575200-B2 Pyridin-2-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD (CH) 2013-11-05 US disclosed
US-8410151-B2 Aminomethyl benzene derivatives ACTELION PHARMACEUTICALS LTD (CH) 2013-04-02 US disclosed
EP-2222667-B1 NOVEL THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2013-02-20 EP disclosed
EP-2262782-B1 NOVEL AMINOMETHYL BENZENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-07-04 EP disclosed
US-8148410-B2 Thiophene derivatives as agonists of S1P1/EDG1 ACTELION PHARMACEUTICALS LTD. (CH) 2012-04-03 US disclosed
US-20110028449-A1 NOVEL AMINOMETHYL BENZENE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-03 US disclosed
US-20100331372-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2010-12-30 US disclosed
EP-2262782-A1 NOVEL AMINOMETHYL BENZENE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-12-22 EP disclosed
US-20100261702-A1 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD. (CH) 2010-10-14 US disclosed
EP-2222667-A2 NOVEL THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 Actelion Pharmaceuticals Ltd. (CH) 2010-09-01 EP disclosed
WO-2009109904-A1 NOVEL AMINOMETHYL BENZENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 WO disclosed
WO-2009074950-A2 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2009-06-18 WO 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 (3 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-20100331372-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS IL2, FCGRT, CD4 LMNA 4504/4885HPGD 648/4885MRGPRX4 74/4885
US-20100261702-A1 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 S1PR1, S1PR3, S1PR5 LMNA 4758/4885HPGD 1999/4885MRGPRX4 25/4885
US-20110028449-A1 NOVEL AMINOMETHYL BENZENE DERIVATIVES CD47, BRD4, BRD3 LMNA 4228/4885HPGD 1116/4885MRGPRX4 150/4885

“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.