SCHEMBL3176504

SCHEMBL3176504

COCOc1ccc(C=O)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
TRIM24 O15164 1/20 0.42
TYR P14679 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
TUBB1 Q9H4B7 1/20 0.39
ERN1 O75460 2/20 0.39
TSHR P16473 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36
MAOB P27338 2/20 0.35
PDIA6 Q15084 1/20 0.35
MCL1 Q07820 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BACE1 P56817 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL16341868 0.86 TUBB1 (0.42) ALDH1A1TRIM24TYRTRIM33TUBB1
SCHEMBL11480200 0.85 KDM4E (0.44) ALDH1A1TRIM24TYRTRIM33TUBB1
SCHEMBL3200445 0.83 ALDH1A1 (0.56) ALDH1A1TRIM24TYRTRIM33TUBB1
SCHEMBL3721962 0.82 ALDH1A1 (0.47) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL1960093 0.81 TYR (0.67) ALDH1A1TRIM24TYRTRIM33TUBB1
SCHEMBL28270457 0.81 ALDH1A1 (0.42) ALDH1A1TRIM24TYRTRIM33TUBB1
SCHEMBL3905573 0.81 ALDH1A1 (0.69) ALDH1A1TRIM24TYRTRIM33TUBB1
SCHEMBL31471572 0.81 TDP1 (0.47) ALDH1A1TRIM24TYRTRIM33TUBB1
SCHEMBL20535326 0.81 PRKDC (0.47) ALDH1A1TRIM24TYRTRIM33TUBB1
SCHEMBL22322049 0.81 ALDH1A1 (0.41) ALDH1A1TRIM24TYRTRIM33TUBB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1544208-B1 PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF KISSEI PHARMACEUTICAL (JP) 2010-05-26 EP disclosed
US-7655632-B2 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-02-02 US disclosed
US-20080312153-A1 PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-7375087-B2 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-05-20 US disclosed
CN-100351263-C Pyrazole derivative, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL COMPANY (JP) 2007-11-28 CN disclosed
US-20060166899-A1 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-07-27 US disclosed
CN-1688596-A Pyrazole derivative, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL COMPANY (JP) 2005-10-26 CN disclosed
EP-1544208-A1 PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-06-22 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 (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-20060166899-A1 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof SLC5A1, SLC5A2, SULT2A1 ALDH1A1 416/4885TRIM24 3451/4885TYR 440/4885
US-20080312153-A1 PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF SLC5A1, SLC5A2, SULT2A1 ALDH1A1 416/4885TRIM24 3451/4885TYR 440/4885

“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.