SCHEMBL11082289

SCHEMBL11082289

C#CC(O)(c1ccccc1)c1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP19A1 P11511 1/20 0.37
▸ KIF11 P52732 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ APOBEC3A P31941 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ GABRA1 P14867 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ CASR P41180 1/20 0.34
▸ MEN1 O00255 2/20 0.33

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
SCHEMBL9112426 0.88 TSHR (0.39) ALDH1A1GABRA1GABRB2CASRMEN1
SCHEMBL9667981 0.84 MEN1 (0.50) ALDH1A1CYP19A1KIF11ESR1ESR2
SCHEMBL11574346 0.84 MEN1 (0.41) ALDH1A1CYP19A1KIF11HTR2AHTR2C
SCHEMBL15875002 0.83 CHRM2 (0.37) ALDH1A1CYP19A1KIF11KDM4EPABPC1
SCHEMBL15171992 0.81 ALDH1A1 (0.33) ALDH1A1CYP19A1KDM4EPABPC1APOBEC3A
SCHEMBL362964 0.81 TSHR (0.43) ALDH1A1KDM4EPABPC1APOBEC3AAPOBEC3G
SCHEMBL18883812 0.81 GABRA1 (0.38) ALDH1A1GABRA1GABRB2CASRTSHR
SCHEMBL15171994 0.79 ESR1 (0.37) ALDH1A1CYP19A1KDM4EPABPC1APOBEC3A
SCHEMBL4796677 0.78 MEN1 (0.44) ALDH1A1KIF11ESR1ESR2MEN1
SCHEMBL9067519 0.78 KCNN4 (0.52) ALDH1A1CYP19A1KIF11KDM4EPABPC1

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-20200131193-A1 PYRANOQUINAZOLINE DERIVATIVES AND NAPHTHOPYRAN DERIVATIVES KANTO KAGAKU KABUSHIKI KAISHA (JP) 2020-04-30 — — US disclosed
US-4467102-A RACEMIC MODIFICATION WITH BRUCINE UBE INDUSTRIES, LTD. (JP) 1984-08-21 — — 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-20200131193-A1 PYRANOQUINAZOLINE DERIVATIVES AND NAPHTHOPYRAN DERIVATIVES PPOX, TYR, NQO1 ALDH1A1 1152/4885CYP19A1 2177/4885KIF11 1469/4885

“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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