SCHEMBL4890728

SCHEMBL4890728

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
SLC15A1 P46059 1/20 0.47
LMNA P02545 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
ATM Q13315 1/20 0.46
CTSB P07858 1/20 0.45
CASP1 P29466 1/20 0.45
CPA1 P15085 2/20 0.44
CPB1 P15086 1/20 0.44
CPA3 P15088 1/20 0.44
CPB2 Q96IY4 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL4902613 1.00 ALDH1A1 (0.56) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL28088843 1.00 ALDH1A1 (0.56) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
Ammonia Solution, Strong SCHEMBL11785845 0.98 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL19224102 0.88 ALDH1A1 (0.59) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL4908107 0.88 ALDH1A1 (0.59) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL9636201 0.88 ALDH1A1 (0.58) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL27981610 0.85 ABCB1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL27769184 0.85 ALDH1A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL265561 0.84 ALDH1A1 (0.58) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL7933968 0.84 ALDH1A1 (0.58) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920044-B2 Selective androgen receptor modulators RADIUS PHARMACEUTICALS, INC. (US) 2018-03-20 US disclosed
US-20150322059-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. 2015-11-12 US disclosed
US-9133182-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2015-09-15 US disclosed
US-20130217732-A1 Selective Androgen Receptor Modulators RADIUS HEALTH, INC. 2013-08-22 US disclosed
US-20080103311-A1 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2008-05-01 US disclosed
US-7312333-B2 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2007-12-25 US disclosed
US-20060166895-A1 Retroviral protease inhibitors MONSANTO COMPANY (NOW NAMED PHARMACIA CORPORATION, WHICH IS A WHOLLY OWNED SUBSIDIARY OF PFIZER, INC (US) 2006-07-27 US disclosed
US-7026485-B2 Retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-04-11 US disclosed
US-7026333-B1 Retroviral protease inhibitors G. D. SEARLE & CO. (US) 2006-04-11 US disclosed
US-20060040974-A1 Retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-02-23 US disclosed
EP-1148050-A1 Retroviral protease inhibitors MONSANTO COMPANY (US) 2001-10-24 EP disclosed
EP-0641325-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 2001-03-07 EP disclosed
US-6180646-B1 PREVENT REPRODUCTION OF RETROVIRUS MONSANTO COMPANY 2001-01-30 US disclosed
EP-0957093-A2 Retrovial protease inhibitors MONSANTO COMPANY (US) 1999-11-17 EP disclosed
US-5948790-A VIRICIDES MOSANTO COMPANY (US) 1999-09-07 US disclosed
US-5756534-A Retroviral protease inhibitors MONSANTO COMPANY (US) 1998-05-26 US disclosed
US-5648364-A HETEROCYCLIC PEPTIDE COMPOUNDS AS ENZYME INHIBITORS MONSANTO COMPANY (US) 1997-07-15 US disclosed
US-5643924-A Retroviral protease inhibitors MONSANTO COMPANY OF ST. LOUIS (US) 1997-07-01 US disclosed
EP-0641325-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1995-03-08 EP disclosed
WO-1993023379-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-11-25 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-20150322059-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, SHBG, GPR119 ALDH1A1 1277/4885TDP1 4352/4885MAPK1 1607/4885
US-20080103311-A1 Retroviral protease inhibitors PREP, DNPEP, SERPINB1 ALDH1A1 2859/4885TDP1 895/4885MAPK1 3128/4885
US-20060040974-A1 Retroviral protease inhibitors PREP, TMPRSS15, DNPEP ALDH1A1 2626/4885TDP1 574/4885MAPK1 2527/4885
US-20130217732-A1 Selective Androgen Receptor Modulators AR, SHBG, GPR119 ALDH1A1 1277/4885TDP1 4352/4885MAPK1 1607/4885
US-20060166895-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 ALDH1A1 2763/4885TDP1 554/4885MAPK1 2453/4885

“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.