SCHEMBL4968657

SCHEMBL4968657

CCC1CNc2cccc(C(C)C)c2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.42
TAAR1 Q96RJ0 2/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 1/20 0.32
ALPG P10696 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR1A P08908 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
HPGD P15428 3/20 0.31
FAAH O00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL4895658 0.79 CASR (0.36) CASRTAAR1CYP1A2GABRA1GABRG2
SCHEMBL4971354 0.75 F2 (0.37) CASRCYP1A2GABRA1GABRG2GABRB3
SCHEMBL15136943 0.74 BRD4 (0.36) CASRCYP1A2CYP2D6ALPGCYP2C19
SCHEMBL10068840 0.74 BRD4 (0.36) CASRCYP1A2CYP2D6ALPGCYP2C19
SCHEMBL10069227 0.74 BRD4 (0.36) CASRCYP1A2CYP2D6ALPGCYP2C19
SCHEMBL1549849 0.73 PARP1 (0.45) CYP1A2CYP2D6ALPGCYP2C19SMN1; SMN2
SCHEMBL17150937 0.71 CASR (0.50) CASRHTR1AHPGD
SCHEMBL30112409 0.71 CASR (0.50) CASRHTR1AHPGD
SCHEMBL20345359 0.70 BRD4 (0.33)
SCHEMBL4968610 0.70 BRD4 (0.47) HPGDUSP2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 CASR 503/4885TAAR1 2607/4885CYP1A2 1140/4885

“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.