SCHEMBL3679227

SCHEMBL3679227

CCN(CC)c1cccc(CCC(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.67
▸ THRB P10828 1/20 0.67
▸ KEAP1 Q14145 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ PTPRB P23467 1/20 0.50
▸ CDC25A P30304 1/20 0.50
▸ CDC25B P30305 1/20 0.50
▸ PTEN P60484 1/20 0.50
▸ PTPMT1 Q8WUK0 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ PPARG P37231 1/20 0.49
▸ FFAR1 O14842 4/20 0.49
▸ CNR2 P34972 1/20 0.47
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ FFAR4 Q5NUL3 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL11341529 0.86 THRA (0.52) THRATHRBALDH1A1CYP3A4FFAR1
SCHEMBL11341527 0.86 THRA (0.52) THRATHRBALDH1A1CYP3A4FFAR1
SCHEMBL11331980 0.85 THRB (0.53) THRATHRBKEAP1ALDH1A1PTPRB
SCHEMBL29954798 0.83 ALDH1A1 (0.58) THRATHRBKEAP1ALDH1A1PTPRB
SCHEMBL11334796 0.83 THRA (0.53) THRATHRBALDH1A1CYP3A4CNR2
Hydrochloric Acid SCHEMBL10411183 0.82 ALDH1A1 (0.57) THRATHRBKEAP1ALDH1A1PTPRB
SCHEMBL11340512 0.82 THRB (0.52) THRATHRBALDH1A1CYP3A4PPARG
SCHEMBL10519820 0.81 ALDH1A1 (0.56) THRATHRBKEAP1ALDH1A1PTPRB
SCHEMBL5593618 0.81 CYP1A2 (0.49) THRATHRBALDH1A1CYP3A4FFAR1
SCHEMBL10522292 0.81 PTPRB (0.51) THRATHRBKEAP1ALDH1A1PTPRB

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 4 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
US-4243606-A AZO DYE COUPLER INTERMEDIATES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1981-01-06 — — 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 THRA 195/4885THRB 395/4885KEAP1 2602/4885

“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.

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