SCHEMBL71938

SCHEMBL71938

COc1ccccc1-c1cc(C(=O)O)n[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.60
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 5/20 0.54
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
ALOX15 P16050 4/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALOX12 P18054 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HPGD P15428 5/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HCAR2 Q8TDS4 3/20 0.45

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
SCHEMBL29930951 1.00 HSD17B10 (0.60) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL29930704 0.87 HSD17B10 (0.62) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL23611759 0.87 HSD17B10 (0.62) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL24025727 0.84 BRD4 (0.49) HSD17B10MEN1KMT2AMAPTPOLB
SCHEMBL1528145 0.84 KMT2A (0.55) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8695064 0.84 MEN1 (0.49) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL13779277 0.83 HSD17B10 (0.58) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1528634 0.83 MAPT (0.50) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9071981 0.83 HSD17B10 (0.69) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14438952 0.82 HSD17B10 (0.53) HSD17B10ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US claimed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US claimed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO claimed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US claimed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US claimed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO claimed
EP-1948614-A2 GLUCOKINASE ACTIVATORS Takeda San Diego, Inc. (US) 2008-07-30 EP claimed
US-20070197532-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-08-23 US claimed
WO-2007061923-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-05-31 WO claimed
EP-4085056-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER Berg LLC (US) 2022-11-09 EP disclosed
CN-115210229-A Polycyclic amides as UBE2K modulators for the treatment of cancer 博格有限责任公司 2022-10-18 CN disclosed
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2022-01-06 US disclosed
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2022-01-06 US disclosed
US-11091447-B2 UBE2K modulators and methods for their use BERG LLC (US) 2021-08-17 US disclosed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO disclosed
EP-1948614-A2 GLUCOKINASE ACTIVATORS Takeda San Diego, Inc. (US) 2008-07-30 EP disclosed
US-20070197532-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-08-23 US disclosed
US-20070197532-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-08-23 US disclosed
US-20070197532-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-08-23 US disclosed
WO-2007061923-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-05-31 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 (5 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-11091447-B2 UBE2K modulators and methods for their use UBE2N, UBE2B, UBE2E1 HSD17B10 828/4885ALDH1A1 1803/4885KDM4E 579/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 HSD17B10 828/4885ALDH1A1 1803/4885KDM4E 579/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 HSD17B10 101/4885ALDH1A1 784/4885KDM4E 375/4885
US-20070197532-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 HSD17B10 1143/4885ALDH1A1 1527/4885KDM4E 2963/4885
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 HSD17B10 80/4885ALDH1A1 969/4885KDM4E 434/4885

“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.