SCHEMBL3669296

SCHEMBL3669296

COc1c(C)cc(CCC(=O)O)cc1C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.52
FFAR4 Q5NUL3 4/20 0.49
FFAR1 O14842 3/20 0.48
THRA P10827 8/20 0.48
THRB P10828 8/20 0.48
ALDH1A1 P00352 2/20 0.46
KEAP1 Q14145 1/20 0.45

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
SCHEMBL7952084 0.90 THRA (0.58) FFAR4THRATHRB
SCHEMBL7792155 0.87 FFAR1 (0.44) NPSR1FFAR4FFAR1THRATHRB
SCHEMBL10750673 0.87 NPC1 (0.50) FFAR4FFAR1THRATHRBALDH1A1
SCHEMBL14553370 0.84 FFAR1 (0.55) FFAR4FFAR1THRATHRBALDH1A1
SCHEMBL7792867 0.84 FFAR4 (0.41) NPSR1FFAR4FFAR1THRATHRB
SCHEMBL429622 0.83 KMT2A (0.57)
SCHEMBL7796633 0.83 FFAR4 (0.41) NPSR1FFAR4FFAR1THRATHRB
SCHEMBL7523213 0.82 NPSR1 (0.55) NPSR1FFAR4FFAR1THRATHRB
SCHEMBL12560457 0.82 FFAR4 (0.48) NPSR1FFAR4FFAR1ALDH1A1
SCHEMBL18258239 0.82 NPSR1 (0.57) NPSR1FFAR4FFAR1THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075732-A1 RADICAL ORBITAL SWITCHING THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2016-03-17 US disclosed
WO-2014121327-A1 RADICAL ORBITAL SWITCHING THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2014-08-14 WO disclosed
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 (2 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 NPSR1 1388/4885FFAR4 107/4885FFAR1 74/4885
US-20160075732-A1 RADICAL ORBITAL SWITCHING RAD1, RAD54L, NQO1 NPSR1 1873/4885FFAR4 4384/4885FFAR1 4012/4885

“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.