SCHEMBL3729771

SCHEMBL3729771

CCCOC(CCC)(C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.46
▸ CYP2C19 P33261 4/20 0.46
▸ SCN1A P35498 3/20 0.46
▸ SCN2A Q99250 3/20 0.46
▸ SCN3A Q9NY46 3/20 0.46
▸ CYP1A2 P05177 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NR1I2 O75469 1/20 0.44
▸ CYP1A1 P04798 1/20 0.44
▸ CYP2E1 P05181 1/20 0.44
▸ CYP2C8 P10632 1/20 0.44

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
Hydrochloric Acid SCHEMBL6519090 0.86 CHRM2 (0.45) LMNACYP2C19SCN1ASCN2ASCN3A
SCHEMBL2443032 0.78 CHRM2 (0.54) LMNACYP2C19SCN1ASCN2ASCN3A
SCHEMBL9620178 0.78 CES2 (0.42) LMNATSHRALDH1A1GAACES2
SCHEMBL9716391 0.78 CES2 (0.42) LMNATSHRALDH1A1GAACES2
SCHEMBL9620365 0.78 CES2 (0.42) LMNATSHRALDH1A1GAACES2
SCHEMBL29214674 0.77 CHRM2 (0.40) LMNACYP2C19SCN1ASCN2ASCN3A
SCHEMBL20293767 0.77 MAPT (0.47) LMNACYP2C19SCN1ASCN2ASCN3A
SCHEMBL8585923 0.77 KIF11 (0.46) LMNACYP2C19SCN1ASCN2ASCN3A
SCHEMBL17653674 0.76 CYP2D6 (0.43) LMNACYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL4298978 0.76 LMNA (0.46) LMNACYP2C19SCN1ASCN2ASCN3A

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 LMNA 1820/4885CYP2C19 2494/4885SCN1A 375/4885

“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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