SCHEMBL3668050

SCHEMBL3668050

COCCOc1cccc(C(C)C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.61
AKR1C3 P42330 4/20 0.50
AKR1C2 P52895 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
PTGS2 P35354 6/20 0.49
MAPT P10636 2/20 0.48
CXCR1 P25024 2/20 0.48
CXCR2 P25025 2/20 0.48
SLC22A6 Q4U2R8 2/20 0.48
RECQL P46063 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
PMP22 Q01453 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CXCL8 P10145 1/20 0.48
THPO P40225 1/20 0.48

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
SCHEMBL3673447 0.87 PTGS1 (0.63) PTGS1AKR1C3AKR1C2SMN1; SMN2ALDH1A1
SCHEMBL4740646 0.87 PTGS1 (0.63) PTGS1AKR1C3AKR1C2SMN1; SMN2ALDH1A1
SCHEMBL4128458 0.85 PTGS1 (0.61) PTGS1AKR1C3AKR1C2SMN1; SMN2ALDH1A1
SCHEMBL27678738 0.85 PTGS1 (0.61) PTGS1AKR1C3AKR1C2SMN1; SMN2ALDH1A1
SCHEMBL8784715 0.85 PTGS1 (0.61) PTGS1AKR1C3AKR1C2SMN1; SMN2ALDH1A1
SCHEMBL6513465 0.84 PTGS1 (0.60) PTGS1AKR1C3AKR1C2SMN1; SMN2ALDH1A1
SCHEMBL3674440 0.83 AKR1C3 (0.70) PTGS1AKR1C3AKR1C2SMN1; SMN2ALDH1A1
SCHEMBL28162348 0.83 AKR1C3 (0.51) PTGS1AKR1C3AKR1C2SMN1; SMN2ALDH1A1
SCHEMBL19399824 0.83 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KDM4ELMNAHPGD
SCHEMBL6288738 0.82 PTGS1 (0.65) PTGS1AKR1C3AKR1C2SMN1; SMN2ALDH1A1

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 PTGS1 1253/4885AKR1C3 809/4885AKR1C2 844/4885

“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.