SCHEMBL580738

SCHEMBL580738

O=C(c1ccccc1)c1ccoc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.53
ALDH1A1 P00352 3/20 0.48
SRD5A2 P31213 1/20 0.47
KDM4E B2RXH2 2/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 4/20 0.44
ATM Q13315 2/20 0.43
CDC25B P30305 2/20 0.43
DAO P14920 1/20 0.43
TSHR P16473 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 3/20 0.42
NR4A1 P22736 1/20 0.42
USP2 O75604 1/20 0.42
KEAP1 Q14145 1/20 0.42

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
SCHEMBL1669171 0.90 ALDH1A1 (0.50) AKR1C3ALDH1A1SRD5A2KDM4ECYP2C8
SCHEMBL8762881 0.85 AKR1C3 (0.46) AKR1C3ALDH1A1KDM4ECYP2C8CYP2C9
SCHEMBL8594052 0.85 AKR1C3 (0.53) AKR1C3ALDH1A1SRD5A2KDM4ECYP2C8
SCHEMBL27869683 0.81 ALDH1A1 (0.44) AKR1C3ALDH1A1MAPTGAAKMT2A
SCHEMBL28269836 0.81 BCL2 (0.42) AKR1C3ALDH1A1KDM4ECYP2C9MAPT
Phthalic Acid SCHEMBL28292421 0.80 ALDH1A1 (0.58) AKR1C3ALDH1A1KDM4EMAPTKMT2A
SCHEMBL28257547 0.79 L3MBTL1 (0.45) ALDH1A1KDM4EKMT2ADAONAPRT
SCHEMBL38507 0.79 L3MBTL1 (0.45) ALDH1A1KDM4EKMT2ADAONAPRT
SCHEMBL6134500 0.78 AKR1C3 (0.46) AKR1C3ALDH1A1SRD5A2KDM4ECYP2C8
SCHEMBL580517 0.77 SMN1; SMN2 (0.44) AKR1C3ALDH1A1CYP2C9MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242961-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2016-01-26 US disclosed
EP-1984353-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2015-12-30 EP disclosed
CN-101405282-B Aurora kinase modulators and methods of use AMGEN INC 2015-03-25 CN disclosed
EP-2418209-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-06-25 EP disclosed
US-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2014-03-06 US disclosed
EP-2418209-A1 Aurora kinase modulators and method of use Amgen Inc. (US) 2012-02-15 EP disclosed
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AMGEN INC. (US) 2011-10-27 US disclosed
US-8022221-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-09-20 US disclosed
US-7560551-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-07-14 US disclosed
US-20090163501-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-06-25 US disclosed
CN-101405282-A Aurora kinase modulators and methods of use AMGEN INC (US) 2009-04-08 CN disclosed
EP-1984353-A1 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2008-10-29 EP disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US disclosed
WO-2007087276-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2007-08-02 WO disclosed
EP-0731803-A4 NOVEL FURANODIAZEPINES MERCK & CO INC (US) 1997-06-18 EP disclosed
EP-0731803-A1 NOVEL FURANODIAZEPINES MERCK & CO. INC. (US) 1996-09-18 EP disclosed
US-5453424-A Furanodiazepines MERCK & CO., INC. (US) 1995-09-26 US disclosed
WO-1995014695-A1 NOVEL FURANODIAZEPINES MERCK & CO., INC. (US) 1995-06-01 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 (4 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-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, AURKB AKR1C3 214/4885ALDH1A1 2864/4885SRD5A2 3157/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 AKR1C3 255/4885ALDH1A1 1645/4885SRD5A2 2187/4885
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, AURKB AKR1C3 214/4885ALDH1A1 2864/4885SRD5A2 3157/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB AKR1C3 214/4885ALDH1A1 2864/4885SRD5A2 3157/4885

“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.