SCHEMBL2885186

SCHEMBL2885186

CCC(Oc1ccc(Br)cc1C(C)=O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.46
PPARA Q07869 2/20 0.44
LTB4R Q15722 1/20 0.43
POLB P06746 1/20 0.39
LRRK2 Q5S007 1/20 0.38
MAOA P21397 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL5553189 0.84 PTGDR2 (0.59) PTGDR2SMN1; SMN2PPARAPOLBALDH1A1
SCHEMBL27971306 0.84 SMN1; SMN2 (0.51) PTGDR2SMN1; SMN2PPARAALDH1A1HPGD
SCHEMBL6780384 0.83 SMN1; SMN2 (0.46) PTGDR2SMN1; SMN2PPARALTB4RALDH1A1
SCHEMBL4812741 0.82 SMN1; SMN2 (0.48) PTGDR2SMN1; SMN2PPARALTB4RALDH1A1
SCHEMBL4816920 0.82 PPARA (0.59) PTGDR2SMN1; SMN2PPARAPOLBALDH1A1
SCHEMBL4819977 0.81 PPARA (0.50) SMN1; SMN2PPARAPOLBALDH1A1HPGD
SCHEMBL21057144 0.81 PPARA (0.50) SMN1; SMN2PPARAPOLBALDH1A1HPGD
SCHEMBL21057133 0.81 SMN1; SMN2 (0.47) PTGDR2SMN1; SMN2PPARAHPGDTSHR
SCHEMBL21057136 0.81 SMN1; SMN2 (0.47) PTGDR2SMN1; SMN2PPARAHPGDTSHR
SCHEMBL21057134 0.81 PPARA (0.49) PTGDR2SMN1; SMN2PPARAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 US disclosed
US-7417169-B2 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-08-26 US disclosed
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-05 US disclosed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 US disclosed
US-20050222225-A1 Use of compounds for increasing spermatozoa motility APPLIED RESEARCH SYSTEMS ARS HOLDING NV (NL) 2005-10-06 US disclosed
EP-1549644-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-07-06 EP disclosed
EP-1531813-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY Applied Research Systems ARS Holding N.V. (AN) 2005-05-25 EP disclosed
WO-2004007491-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-01-22 WO disclosed
WO-2004006916-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2004-01-22 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-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES ZAP70, BRCA1, ZYX PTGDR2 1519/4885SMN1; SMN2 2134/4885PPARA 1451/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 PTGDR2 3636/4885SMN1; SMN2 3624/4885PPARA 4583/4885
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A PTGDR2 156/4885SMN1; SMN2 4525/4885PPARA 752/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B PTGDR2 1388/4885SMN1; SMN2 2104/4885PPARA 1438/4885

“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.