SCHEMBL7249261

SCHEMBL7249261

Cc1ccc(CC2CCc3ccccc3C2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.70
SIGMAR1 Q99720 3/20 0.57
HTR1A P08908 2/20 0.57
CYP26A1 O43174 5/20 0.55
DRD2 P14416 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP24A1 Q07973 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL31112302 1.00 CYP19A1 (0.70) CYP19A1SIGMAR1HTR1ACYP26A1DRD2
SCHEMBL28733987 0.89 CYP19A1 (0.80) CYP19A1SIGMAR1HTR1ACYP26A1
SCHEMBL30275056 0.89 CYP19A1 (0.80) CYP19A1SIGMAR1HTR1ACYP26A1
SCHEMBL3761876 0.89 CYP19A1 (0.80) CYP19A1SIGMAR1HTR1ACYP26A1
SCHEMBL29679563 0.85 CYP19A1 (0.70) CYP19A1SIGMAR1HTR1ACYP26A1ALDH1A1
SCHEMBL31112261 0.85 CYP19A1 (0.70) CYP19A1SIGMAR1HTR1ACYP26A1ALDH1A1
SCHEMBL7242566 0.85 CYP19A1 (0.70) CYP19A1SIGMAR1HTR1ACYP26A1ALDH1A1
SCHEMBL7247938 0.85 CYP19A1 (0.70) CYP19A1SIGMAR1HTR1ACYP26A1DRD2
SCHEMBL28733981 0.85 CYP19A1 (0.70) CYP19A1SIGMAR1HTR1ACYP26A1ALDH1A1
SCHEMBL29679457 0.85 CYP24A1 (0.66) CYP19A1SIGMAR1HTR1ACYP26A1CYP24A1

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-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 CYP19A1 2314/4885SIGMAR1 2522/4885HTR1A 4175/4885

“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.