SCHEMBL3670913

SCHEMBL3670913

Cn1ccc2cccc(CCC(=O)O)c21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 3/20 0.60
OXER1 Q8TDS5 1/20 0.51
PTGER4 P35408 2/20 0.41
PTGER2 P43116 2/20 0.41
PTGER1 P34995 1/20 0.41
PTGER3 P43115 1/20 0.41
GSK3B P49841 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
PARP1 P09874 1/20 0.39
FFAR1 O14842 1/20 0.38
AKR1B1 P15121 1/20 0.38
KEAP1 Q14145 1/20 0.38
CCNE2 O96020 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 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
SCHEMBL31370499 0.85 CMA1 (0.52) CMA1OXER1PTGER4PTGER2CCNE2
SCHEMBL4559781 0.82 OXER1 (0.52) CMA1OXER1PTGER4PTGER2PTGER1
SCHEMBL31370219 0.82 CMA1 (0.57) CMA1OXER1MEN1KMT2A
SCHEMBL10264882 0.78 CMA1 (0.43) CMA1OXER1CCNE2CDK4CCND1
SCHEMBL11005480 0.78 CMA1 (0.48) CMA1OXER1CCNE2CDK4CCND1
SCHEMBL14832012 0.78 CMA1 (0.44) CMA1OXER1PTGER4PTGER2MEN1
SCHEMBL19509539 0.78 CMA1 (0.46) CMA1PTGER4PTGER2
SCHEMBL31370531 0.77 CMA1 (0.42) CMA1OXER1CCNE2CDK4CCND1
SCHEMBL27702857 0.77 CMA1 (0.42) CMA1OXER1CCNE2CDK4CCND1
SCHEMBL689243 0.76 CMA1 (0.47) CMA1MEN1KMT2ACCNE2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 CMA1 1198/4885OXER1 519/4885PTGER4 1781/4885

“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.