SCHEMBL13442906

SCHEMBL13442906

COC1=C(C(c2ccccc2)n2ccnc2)C=CC2OC(C)(C)C=CC12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 14/20 0.47
▸ CYP26A1 O43174 3/20 0.41
▸ CYP17A1 P05093 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL13443145 0.92 CYP19A1 (0.48) CYP19A1CYP26A1CYP17A1CYP3A4
SCHEMBL13442905 0.79 CYP17A1 (0.37) CYP17A1KMT2A
SCHEMBL13443144 0.77 CYP19A1 (0.47) CYP19A1CYP26A1CYP17A1MEN1NR1I2
SCHEMBL13442919 0.75 CYP11B1 (0.43) CYP19A1CYP26A1CYP17A1MEN1NR1I2
SCHEMBL13442923 0.72 CYP19A1 (0.48) CYP19A1CYP26A1CYP17A1MEN1NR1I2
SCHEMBL13443147 0.71 CYP11B1 (0.42) CYP19A1CYP26A1CYP17A1CYP11B1CYP11B2
SCHEMBL13442907 0.70 CYP19A1 (0.50) CYP19A1CYP26A1CYP3A4
SCHEMBL3389892 0.69 CYP19A1 (0.49) CYP19A1CYP26A1CYP17A1MEN1NR1I2
SCHEMBL13442922 0.67 CYP19A1 (0.37) CYP19A1CYP26A1CYP3A4
SCHEMBL3394245 0.67 CYP19A1 (0.58) CYP19A1CYP26A1CYP17A1MEN1NR1I2

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-20100087478-A1 HIF-1 Inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-08 — — US disclosed
US-7652033-B2 HIF-1 inhibitors EMORY UNIVERSITY (US) 2010-01-26 — — 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-20100087478-A1 HIF-1 Inhibitors HIF1AN, HIF1A, EGLN2 CYP19A1 1742/4885CYP26A1 1897/4885CYP17A1 2390/4885

“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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