SCHEMBL7244157

SCHEMBL7244157

COc1ccc(CC2CCc3ccccc3C2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 6/20 0.66
CYP26A1 O43174 4/20 0.66
CYP19A1 P11511 4/20 0.65
CYP27A1 Q02318 3/20 0.59
HTR1A P08908 2/20 0.54
SIGMAR1 Q99720 2/20 0.54

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
SCHEMBL28733982 1.00 CYP24A1 (0.66) CYP24A1CYP26A1CYP19A1CYP27A1HTR1A
SCHEMBL15874727 1.00 CYP24A1 (0.66) CYP24A1CYP26A1CYP19A1CYP27A1HTR1A
SCHEMBL29679457 1.00 CYP24A1 (0.66) CYP24A1CYP26A1CYP19A1CYP27A1HTR1A
SCHEMBL19748689 0.86 CYP19A1 (0.63) CYP24A1CYP26A1CYP19A1SIGMAR1
SCHEMBL15874605 0.86 CYP24A1 (0.60) CYP24A1CYP26A1CYP19A1CYP27A1HTR1A
SCHEMBL7243310 0.86 CYP24A1 (0.60) CYP24A1CYP26A1CYP19A1CYP27A1HTR1A
SCHEMBL30275056 0.85 CYP19A1 (0.80) CYP26A1CYP19A1HTR1ASIGMAR1
SCHEMBL3761876 0.85 CYP19A1 (0.80) CYP26A1CYP19A1HTR1ASIGMAR1
SCHEMBL28733987 0.85 CYP19A1 (0.80) CYP26A1CYP19A1HTR1ASIGMAR1
SCHEMBL7249809 0.85 CYP19A1 (0.80) CYP24A1CYP26A1CYP19A1CYP27A1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112694449-B Asymmetric hydrogenation of ketone and alpha, beta-unsaturated ketone catalyzed by nonmetal catalyst 中国科学院化学研究所 2022-05-24 CN disclosed
CN-112694449-A Novel nonmetal catalyst for catalyzing asymmetric hydrogenation of ketone and alpha, beta-unsaturated ketone 中国科学院化学研究所 2021-04-23 CN disclosed
EP-3561876-A1 DISPLAY Novaled GmbH (DE) 2019-10-30 EP disclosed
WO-2014109712-A1 PALLADIUM-CATALYZED ASYMMETRIC (HETERO)ARYLATION AND VINYLATION OF KETONE ENOLATES TO PRODUCE TERTIARY STEREOCENTERS AT ALPHA(α)-POSITION NANAYNG TECHNOLOGICAL UNIVERSITY (SG) 2014-07-17 WO disclosed
US-20030191279-A1 Urea derivatives useful as anticancer agents GOLDSTEIN STEVEN WAYNE (US) 2003-10-09 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-20030191279-A1 Urea derivatives useful as anticancer agents CCNA1, CCNE1, CCND1 CYP24A1 1214/4885CYP26A1 2627/4885CYP19A1 2314/4885

“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.