SCHEMBL7242889

SCHEMBL7242889

COc1ccccc1CC1CCc2ccccc2/C1=N\O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HTR2C P28335 1/20 0.41
CYP24A1 Q07973 5/20 0.40
CYP27A1 Q02318 3/20 0.40
CYP26A1 O43174 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
CYP19A1 P11511 1/20 0.37
PIN1 Q13526 1/20 0.36

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
SCHEMBL7242893 1.00 ALDH1A1 (0.46) ALDH1A1HTR2CCYP24A1CYP27A1CYP26A1
SCHEMBL7244213 0.82 CYP26A1 (0.38) ALDH1A1HTR2CCYP24A1CYP27A1CYP26A1
SCHEMBL7244217 0.82 CYP26A1 (0.38) ALDH1A1HTR2CCYP24A1CYP27A1CYP26A1
SCHEMBL7249428 0.81 CYP24A1 (0.59) HTR2CCYP24A1CYP27A1CYP26A1CYP2D6
SCHEMBL15874612 0.81 CYP24A1 (0.59) HTR2CCYP24A1CYP27A1CYP26A1CYP2D6
SCHEMBL7170156 0.77 CYP19A1 (0.52) HTR2CCYP26A1HPGDCYP19A1
SCHEMBL7170153 0.77 CYP19A1 (0.52) HTR2CCYP26A1HPGDCYP19A1
SCHEMBL31374595 0.74 SMN1; SMN2 (0.39) ALDH1A1HTR2CHPGDLMNASMN1; SMN2
SCHEMBL6181741 0.71 HPGD (0.41) ALDH1A1HPGDLMNAMAPTCYP19A1
SCHEMBL28733986 0.70 CYP24A1 (0.56) ALDH1A1HTR2CCYP24A1CYP27A1CYP26A1

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 ALDH1A1 1215/4885HTR2C 4716/4885CYP24A1 1214/4885

“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.