SCHEMBL4809720

SCHEMBL4809720

COC(=O)C1(Cc2ccccc2)CCCC1=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.55
TACR3 P29371 1/20 0.55
CYP3A4 P08684 4/20 0.43
CYP2C19 P33261 4/20 0.43
GPR119 Q8TDV5 4/20 0.42
MAPT P10636 3/20 0.41
TSHR P16473 3/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL26679406 0.96 TACR3 (0.57) TACR1TACR3CYP3A4CYP2C19GPR119
SCHEMBL8830633 0.92 TACR1 (0.51) TACR1TACR3CYP3A4CYP2C19GPR119
SCHEMBL8830812 0.87 TACR1 (0.45) TACR1TACR3CYP3A4CYP2C19GPR119
SCHEMBL4806628 0.86 CYP3A4 (0.49) CYP3A4CYP2C19GPR119TSHRCYP2C9
SCHEMBL18440292 0.86 TACR1 (0.44) TACR1TACR3CYP3A4CYP2C19MAPT
SCHEMBL2039023 0.86 TACR1 (0.44) TACR1TACR3CYP2C19MAPTALDH1A1
SCHEMBL22211342 0.86 TACR1 (0.44) TACR1TACR3CYP3A4CYP2C19GPR119
SCHEMBL9168218 0.86 TACR1 (0.44) TACR1TACR3CYP3A4CYP2C19GPR119
SCHEMBL16166076 0.85 TACR1 (0.45) TACR1TACR3
SCHEMBL25742564 0.85 TACR1 (0.44) TACR1TACR3CYP3A4CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2719695-B1 AZOLE DERIVATIVE, METHOD FOR PRODUCING AZOLE DERIVATIVE, AND INTERMEDIATE COMPOUND KUREHA CORP (JP) 2016-05-18 EP disclosed
US-9241488-B2 Azole derivative, method for producing azole derivative, and intermediate compound KUREHA CORPORATION (JP) 2016-01-26 US disclosed
US-20140113815-A1 AZOLE DERIVATIVE, METHOD FOR PRODUCING AZOLE DERIVATIVE, AND INTERMEDIATE COMPOUND KUREHA CORPORATION (JP) 2014-04-24 US disclosed
EP-2719695-A1 AZOLE DERIVATIVE, METHOD FOR PRODUCING AZOLE DERIVATIVE, AND INTERMEDIATE COMPOUND Kureha Corporation (JP) 2014-04-16 EP disclosed
US-7388103-B2 Cyclopentane carboxylate compounds, process and intermediates for preparing the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-06-17 US disclosed
US-20060094843-A1 Cyclopentane carboxylate compounds, process and intermediates for preparing the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2006-05-04 US disclosed
WO-2006045246-A1 CYCLOPENTANE CARBOXYLATE COMPOUNDS, PROCESS AND INTERMEDIATES FOR PREPARING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2006-05-04 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 (2 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-20140113815-A1 AZOLE DERIVATIVE, METHOD FOR PRODUCING AZOLE DERIVATIVE, AND INTERMEDIATE COMPOUND CBR3, CYP4F3, CYP4F11 TACR1 1941/4885TACR3 406/4885CYP3A4 13/4885
US-20060094843-A1 Cyclopentane carboxylate compounds, process and intermediates for preparing the same and use thereof C5, C1S, AKR1C3 TACR1 1258/4885TACR3 1046/4885CYP3A4 86/4885

“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.