SCHEMBL1845264

SCHEMBL1845264

O=C(O)c1ccc2c(c1)CCc1cc(C(=O)O)ccc1-2

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.81
SRD5A1 P18405 4/20 0.81
ALDH1A1 P00352 3/20 0.61
RAB9A P51151 2/20 0.53
MITF O75030 1/20 0.53
HSP90AA1 P07900 1/20 0.53
MAPT P10636 5/20 0.50
KDM4E B2RXH2 4/20 0.50
NPC1 O15118 1/20 0.50
TTR P02766 1/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 2/20 0.47
BLM P54132 1/20 0.47
GRM1 Q13255 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47

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
Hydrochloric Acid SCHEMBL11806873 0.98 SRD5A2 (0.79) SRD5A2SRD5A1ALDH1A1RAB9AMITF
Hydrochloric Acid SCHEMBL11808367 0.98 SRD5A2 (0.79) SRD5A2SRD5A1ALDH1A1RAB9AMITF
SCHEMBL10728165 0.90 SRD5A2 (0.72) SRD5A2SRD5A1ALDH1A1RAB9AMITF
SCHEMBL10081754 0.90 SRD5A2 (1.00) SRD5A2SRD5A1ALDH1A1RAB9AMITF
SCHEMBL8253251 0.90 SRD5A2 (0.68) SRD5A2SRD5A1ALDH1A1RAB9AMITF
SCHEMBL12514876 0.89 SRD5A2 (0.67) SRD5A2SRD5A1ALDH1A1RAB9AMITF
SCHEMBL10442777 0.89 SRD5A2 (1.00) SRD5A2SRD5A1ALDH1A1RAB9AMITF
SCHEMBL1275273 0.88 SRD5A2 (0.66) SRD5A2SRD5A1ALDH1A1RAB9AMITF
SCHEMBL29431442 0.88 SRD5A2 (0.66) SRD5A2SRD5A1ALDH1A1RAB9AMITF
SCHEMBL27506 0.86 SRD5A2 (0.81) SRD5A2SRD5A1ALDH1A1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080032221-A1 Polyarylate containing member XEROX CORPORATION. 2008-02-07 US claimed
EP-0397418-A1 9,10-dihydrophenanthrene-2,7-dicarboxylic acid diesters, 7-Bromo-9,10-dihydrophenanthrene-2-carboxylic acid esters and a process for producing the same Director General, Agency of Industrial Science and Technology (JP) 1990-11-14 EP claimed
EP-1467969-B1 DNA MINOR GROOVE BINDING COMPOUNDS UNIV STRATHCLYDE (GB) 2011-05-18 EP disclosed
US-7700765-B2 DNA minor groove binding compounds UNIVERSITY OF STRATHCLYDE (GB) 2010-04-20 US disclosed
US-7534536-B2 Photoconductor containing substrate, undercoat layer thereover comprising polyol resin, aminoplast resin, polyarylate, siloxane modified polyarylate, epoxy modified polyarylate, or urethane modified polyarylate, or amine modified polyarylate, metal oxide, photogenerating layer, and charge transport layer XEROX CORPORATION (US) 2009-05-19 US disclosed
US-20080032221-A1 Polyarylate containing member XEROX CORPORATION. 2008-02-07 US disclosed
US-20070117760-A1 Dna minor groove binding compounds UNIVERSITY OF STRATHCLYDE (GB) 2007-05-24 US disclosed
EP-1467969-A2 DNA MINOR GROOVE BINDING COMPOUNDS The University of Strathclyde (GB) 2004-10-20 EP disclosed
WO-2003059881-A2 DNA MINOR GROOVE BINDING COMPOUNDS UNIVERSITY OF STRATHCLYDE (GB) 2003-07-24 WO disclosed
WO-2001019792-A1 COVALENTLY LINKED DIMERIC DNA BINDING MOLECULES GENELABS TECHNOLOGIES, INC. (US) 2001-03-22 WO disclosed
EP-0397418-A1 9,10-dihydrophenanthrene-2,7-dicarboxylic acid diesters, 7-Bromo-9,10-dihydrophenanthrene-2-carboxylic acid esters and a process for producing the same Director General, Agency of Industrial Science and Technology (JP) 1990-11-14 EP disclosed
EP-0397418-A1 9,10-dihydrophenanthrene-2,7-dicarboxylic acid diesters, 7-Bromo-9,10-dihydrophenanthrene-2-carboxylic acid esters and a process for producing the same Director General, Agency of Industrial Science and Technology (JP) 1990-11-14 EP disclosed
EP-0397418-A1 9,10-dihydrophenanthrene-2,7-dicarboxylic acid diesters, 7-Bromo-9,10-dihydrophenanthrene-2-carboxylic acid esters and a process for producing the same Director General, Agency of Industrial Science and Technology (JP) 1990-11-14 EP disclosed
US-3931211-A OPTICAL BRIGHTENERS CIBA-GEIGY AG (CH) 1976-01-06 US 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-20070117760-A1 Dna minor groove binding compounds PCNA, POLL, POLM SRD5A2 1819/4885SRD5A1 1329/4885ALDH1A1 4824/4885

“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.