SCHEMBL3602690

SCHEMBL3602690

O=Cc1ccc(Oc2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.58
PARP10 Q53GL7 1/20 0.54
PARP3 Q9Y6F1 1/20 0.54
KMT2A Q03164 2/20 0.54
NR3C1 P04150 1/20 0.51
CA2 P00918 1/20 0.47
CAMK2A Q9UQM7 1/20 0.47
FFAR1 O14842 2/20 0.46
PPARD Q03181 1/20 0.46
AKR1B1 P15121 1/20 0.45
LMNA P02545 2/20 0.44
PTGS1 P23219 2/20 0.44
ABCC4 O15439 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 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
SCHEMBL225479 0.89 CA2 (0.58) KMT2ACA2CAMK2AFFAR1AKR1B1
SCHEMBL21243832 0.87 SRD5A2 (0.72) SRD5A2NR3C1CA2CAMK2AFFAR1
SCHEMBL2999416 0.87 SRD5A2 (0.72) SRD5A2NR3C1CA2CAMK2AFFAR1
SCHEMBL18269514 0.85 RAB9A (0.55) PARP10KMT2ACA2CAMK2AFFAR1
SCHEMBL24677897 0.84 FFAR1 (0.54) SRD5A2PARP10PARP3NR3C1FFAR1
SCHEMBL31238525 0.84 PARP10 (0.62) PARP10PARP3KMT2ACA2LMNA
SCHEMBL1125736 0.83 ABCC4 (0.64) KMT2ACA2CAMK2AFFAR1AKR1B1
SCHEMBL3962759 0.83 FFAR1 (0.70) SRD5A2PARP10PARP3FFAR1LMNA
SCHEMBL1145770 0.81 SRD5A2 (0.83) SRD5A2NR3C1FFAR1AKR1B1LMNA
SCHEMBL2353788 0.79 CA2 (0.76) SRD5A2PARP10KMT2ANR3C1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111423434-A Carbonamide derivative and preparation method thereof 四川海思科制药有限公司 2020-07-17 CN disclosed
EP-2004185-B1 NOVEL HETEROCYCLIC DIPHENYL ETHERS BEXEL PHARMACEUTICALS INC (US) 2013-06-26 EP disclosed
EP-2004185-B1 NOVEL HETEROCYCLIC DIPHENYL ETHERS BEXEL PHARMACEUTICALS INC (US) 2013-06-26 EP disclosed
US-7781464-B2 Heterocyclic diphenyl ethers BEXEL PHARMACEUTICALS, INC. (US) 2010-08-24 US disclosed
US-7781464-B2 Heterocyclic diphenyl ethers BEXEL PHARMACEUTICALS, INC. (US) 2010-08-24 US disclosed
US-7781464-B2 Heterocyclic diphenyl ethers BEXEL PHARMACEUTICALS, INC. (US) 2010-08-24 US disclosed
WO-2007097992-A2 NOVEL HETEROCYCLIC DIPHENYL ETHERS BEXEL PHARMACEUTICALS, INC. (US) 2007-08-30 WO disclosed
US-20060247285-A1 Novel heterocyclic diphenyl ethers BEXEL PHARMACEUTICALS, INC. 2006-11-02 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-20060247285-A1 Novel heterocyclic diphenyl ethers FFAR4, FFAR3, GPR119 SRD5A2 336/4885PARP10 4372/4885PARP3 3495/4885

“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.