SCHEMBL7170153

SCHEMBL7170153

O/N=C1\c2ccccc2CCC1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.52
SIGMAR1 Q99720 4/20 0.46
HTR1A P08908 2/20 0.46
HTR6 P50406 1/20 0.43
CYP26A1 O43174 2/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
GRIN2B Q13224 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 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
SCHEMBL7170156 1.00 CYP19A1 (0.52) CYP19A1SIGMAR1HTR1AHTR6CYP26A1
SCHEMBL7244217 0.81 CYP26A1 (0.38) CYP19A1SIGMAR1HTR1ACYP26A1HPGD
SCHEMBL7244213 0.81 CYP26A1 (0.38) CYP19A1SIGMAR1HTR1ACYP26A1HPGD
SCHEMBL28733987 0.78 CYP19A1 (0.80) CYP19A1SIGMAR1HTR1ACYP26A1DDB1
SCHEMBL3761876 0.78 CYP19A1 (0.80) CYP19A1SIGMAR1HTR1ACYP26A1DDB1
SCHEMBL30275056 0.78 CYP19A1 (0.80) CYP19A1SIGMAR1HTR1ACYP26A1DDB1
SCHEMBL7242889 0.77 ALDH1A1 (0.46) CYP19A1CYP26A1HPGDHTR2C
SCHEMBL7242893 0.77 ALDH1A1 (0.46) CYP19A1CYP26A1HPGDHTR2C
SCHEMBL31374595 0.73 SMN1; SMN2 (0.39) CYP19A1HPGDL3MBTL1HTR2C
SCHEMBL8886079 0.73 CYP19A1 (0.45) CYP19A1SIGMAR1DDB1CRBNGRIN2B

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 2 patents. 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
US-6576632-B1 Such as 3'-((Benzyl-(2-benzyl-1,2,3,4-tetrahydro-naphthalen-1-yl)-carbamoyl)-methyl)-biphenyl-3-carboxylic acid PFIZER INC 2003-06-10 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.