SCHEMBL21939660

SCHEMBL21939660

CCc1c(C)c(C)nc2ccc(C)cc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ PKM P14618 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ ELANE P08246 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ PSMB5 P28074 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL14044130 0.79 CYP1A2 (0.72) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL10496106 0.78 GPR3 (0.53) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL9724245 0.74 LMNA (0.55) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL13107066 0.74 KDM4E (0.49) KDM4EPKMLMNAALDH1A1ELANE
Hydrochloric Acid SCHEMBL27551107 0.73 LMNA (0.53) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL30762600 0.73 ATM (0.51) CYP1A2CYP2C9KDM4ELMNAALDH1A1
SCHEMBL2124437 0.71 KDM4E (0.46) CYP1A2CYP2C9CYP2C19KDM4EPKM
Hydrochloric Acid SCHEMBL12479363 0.71 ACHE (0.43) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL13349883 0.71 ALDH1A1 (0.43) KDM4EPKMLMNAALDH1A1ELANE
SCHEMBL21574677 0.71 PKM (0.45) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 — — 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-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 CYP1A2 292/4885CYP2D6 1206/4885CYP2C9 1006/4885

“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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