SCHEMBL265561

SCHEMBL265561

C[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
CTSB P07858 2/20 0.52
MAPK1 P28482 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HPGD P15428 1/20 0.51
CTRB1 P17538 2/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 1/20 0.50
LTA4H P09960 1/20 0.49
LAP3 P28838 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TACR1 P25103 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL265176 1.00 ALDH1A1 (0.58) ALDH1A1CTSBMAPK1L3MBTL1SLC6A2
SCHEMBL12764099 1.00 ALDH1A1 (0.58) ALDH1A1CTSBMAPK1L3MBTL1SLC6A2
SCHEMBL8268036 0.93 LMNA (0.54) ALDH1A1CTSBMAPK1L3MBTL1SLC6A2
SCHEMBL16080197 0.93 LMNA (0.54) ALDH1A1CTSBMAPK1L3MBTL1SLC6A2
SCHEMBL13534745 0.92 ALDH1A1 (0.50) ALDH1A1CTSBMAPK1L3MBTL1SLC6A2
SCHEMBL14599839 0.92 ALDH1A1 (0.50) ALDH1A1CTSBMAPK1L3MBTL1SLC6A2
SCHEMBL38661393 0.91 ALDH1A1 (0.49) ALDH1A1CTSBMAPK1L3MBTL1SLC6A2
SCHEMBL22064243 0.91 ALDH1A1 (0.49) ALDH1A1CTSBMAPK1L3MBTL1SLC6A2
SCHEMBL22930081 0.91 ALDH1A1 (0.59) ALDH1A1CTSBL3MBTL1KMT2ATDP1
SCHEMBL25901508 0.89 LTA4H (0.65) L3MBTL1LTA4HLAP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871916-B2 Diaryl phosphine compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-10-28 US disclosed
US-8871916-B2 Diaryl phosphine compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-10-28 US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-20130203974-A1 Preparation of Diazo and Diazonium Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-08-08 US disclosed
US-8324174-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-12-04 US disclosed
US-20120277146-A1 Compounds For Enzyme Inhibition ONYX PHARMACEUTICALS INC. (US) 2012-11-01 US disclosed
US-8207126-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-06-26 US disclosed
US-8207127-B2 Compounds for enzyme inhibition ONYX TECHNOLOGIES, INC. (US) 2012-06-26 US disclosed
US-8207125-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-06-26 US disclosed
US-20120094929-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2012-04-19 US disclosed
US-20120094930-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2012-04-19 US disclosed
US-20120094928-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2012-04-19 US disclosed
US-20120094926-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2012-04-19 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
US-20090275727-A1 Peptide turn mimetics MIMETICA PTY LIMITED (AU) 2009-11-05 US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 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 (8 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-20090275727-A1 Peptide turn mimetics IAPP, GLP1R, VIP ALDH1A1 4876/4885CTSB 1186/4885MAPK1 4047/4885
US-20120094929-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 ALDH1A1 2975/4885CTSB 32/4885MAPK1 2326/4885
US-20130203974-A1 Preparation of Diazo and Diazonium Compounds TREH, TALDO1, LIPE ALDH1A1 2593/4885CTSB 3007/4885MAPK1 428/4885
US-20120094928-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 ALDH1A1 2975/4885CTSB 32/4885MAPK1 2326/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 ALDH1A1 2376/4885CTSB 4155/4885MAPK1 2117/4885
US-20120094926-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 ALDH1A1 2975/4885CTSB 32/4885MAPK1 2326/4885
US-20120094930-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 ALDH1A1 2975/4885CTSB 32/4885MAPK1 2326/4885
US-20120277146-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 ALDH1A1 2975/4885CTSB 32/4885MAPK1 2326/4885

“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.