SCHEMBL6989689

SCHEMBL6989689

COc1ccccc1OC(C)(C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.62
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA4 P22748 1/20 0.50
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.47
PPARA Q07869 3/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL1234609 0.83 POLB (0.49) HSD17B10KDM4EALDH1A1CA1CA2
SCHEMBL9591078 0.83 CA1 (0.48) HSD17B10KDM4EALDH1A1CA1CA2
SCHEMBL1044044 0.83 ALDH1A1 (0.60) HSD17B10KDM4EALDH1A1KMT2APPARA
SCHEMBL1333446 0.81 HSD11B1 (0.49) HSD17B10KDM4EALDH1A1CA1CA2
SCHEMBL1045767 0.81 KDM4E (0.62) HSD17B10KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL28821563 0.81 ALDH1A1 (0.62) HSD17B10KDM4EALDH1A1KMT2AHTT
SCHEMBL21939443 0.80 L3MBTL1 (0.59) HSD17B10KDM4EALDH1A1POLBLMNA
SCHEMBL1532726 0.80 POLB (0.46) HSD17B10KDM4EALDH1A1CA1CA2
SCHEMBL3369745 0.79 KDM4E (0.60) HSD17B10KDM4EALDH1A1POLBKMT2A
SCHEMBL2517197 0.79 ALDH1A1 (0.60) HSD17B10KDM4EALDH1A1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO disclosed
EP-1313716-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
WO-2002016331-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-02-28 WO disclosed
EP-0750614-B1 QUINAZOLINYL-AMINO DERIVATIVES HAVING ALPHA-ANTAGONIST ACTIVITY RECORDATI CHEM PHARM (CH) 2001-05-23 EP disclosed
US-5798362-A USEFUL AS ALPHA-ADRENORECEPTOR BLOCKERS; CONDENSATION RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1998-08-25 US disclosed
EP-0750614-A1 QUINAZOLINYL-AMINO DERIVATIVES HAVING ALPHA-ANTAGONIST ACTIVITY RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1997-01-02 EP disclosed
WO-1995025726-A1 QUINAZOLINYL-AMINO DERIVATIVES HAVING α-ANTAGONIST ACTIVITY RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-09-28 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 (1 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 HSD17B10 19/4885KDM4E 3912/4885ALDH1A1 359/4885

“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.