SCHEMBL21941802

SCHEMBL21941802

Cc1cc(C)c(C(C)(C)C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.42
CYP2C19 P33261 4/20 0.42
CYP1A2 P05177 2/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
CA2 P00918 4/20 0.42
POLB P06746 2/20 0.42
TYR P14679 2/20 0.42
ALOX15 P16050 5/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ATP2A2 P16615 1/20 0.41
ATP2A3 Q93084 1/20 0.41
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 2/20 0.38

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
SCHEMBL21500716 0.94 CYP2C9 (0.46) CYP2C9CYP2C19CYP1A2GABRA1GABRB2
Water SCHEMBL28480832 0.90 CYP2C9 (0.44) CYP2C9CYP2C19CYP1A2GABRA1GABRB2
SCHEMBL27489165 0.90 CYP2C9 (0.44) CYP2C9CYP2C19CYP1A2GABRA1GABRB2
SCHEMBL23542144 0.84 CYP1A2 (0.37) CYP2C9CYP2C19CYP1A2GABRA1GABRB2
SCHEMBL5051888 0.79 CYP2C9 (0.41) CYP2C9CYP2C19CYP1A2GABRA1GABRB2
SCHEMBL21534502 0.78 CYP1A2 (0.37) CYP2C9CYP2C19CYP1A2GABRA1GABRB2
SCHEMBL22882413 0.78 CYP1A2 (0.37) CYP2C9CYP2C19CYP1A2GABRA1GABRB2
SCHEMBL18931663 0.78 CYP1A2 (0.37) CYP2C9CYP2C19CYP1A2GABRA1GABRB2
SCHEMBL627857 0.78 ALOX15 (0.75) CYP2C9CYP2C19CYP1A2GABRA1GABRB2
SCHEMBL24116135 0.78 CYP3A4 (0.55) CYP2C9CYP2C19CYP1A2GABRA1GABRB2

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-20200131107-A1 DENDRITIC POLYETHYLENE GLYCOL DERIVATIVE, AND PREPARATION METHOD AND APPLICATION THEREOF JENKEM TECHNOLOGY CO., LTD. (TIANJIN) (CN) 2020-04-30 US disclosed
CN-106459523-B The manufacturing method of resin combination, cross-linking agent and cross-linking agent 住友化学株式会社 2019-11-19 CN disclosed
CN-110352213-A Film 住友化学株式会社 2019-10-18 CN 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-20200131107-A1 DENDRITIC POLYETHYLENE GLYCOL DERIVATIVE, AND PREPARATION METHOD AND APPLICATION THEREOF CD14, CD40LG, MYD88 CYP2C9 2507/4885CYP2C19 1561/4885CYP1A2 3931/4885

“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.