SCHEMBL3391074

SCHEMBL3391074

COc1c(C(CC(C)C)n2ccnc2)ccc2c1C=CC(C)(C)O2

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 14/20 0.52
▸ CYP17A1 P05093 1/20 0.42
▸ PTPN1 P18031 2/20 0.41
▸ HSP90AA1 P07900 3/20 0.39

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
SCHEMBL3394245 0.80 CYP19A1 (0.58) HIF1ACYP17A1PTPN1HSP90AA1
SCHEMBL3394928 0.80 CYP19A1 (0.50) HIF1APTPN1
SCHEMBL3394304 0.79 HIF1A (0.77) HIF1APTPN1HSP90AA1
SCHEMBL3395455 0.68 HIF1A (1.00) HIF1APTPN1HSP90AA1
SCHEMBL16694830 0.65 HIF1A (0.52) HIF1AHSP90AA1
SCHEMBL13442905 0.65 CYP17A1 (0.37) CYP17A1
SCHEMBL16694472 0.64 HSP90AA1 (0.53) HIF1AHSP90AA1
SCHEMBL3395050 0.64 CYP19A1 (0.48) HIF1ACYP17A1HSP90AA1
SCHEMBL3390099 0.62 CYP19A1 (0.53) HIF1ACYP17A1HSP90AA1
SCHEMBL31591499 0.61 PTPN1 (0.65) HIF1APTPN1HSP90AA1

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 8 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 claimed
US-20070099952-A1 Hif-1 inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 — — US claimed
EP-1613311-A2 HIF-1 INHIBITORS Emory University (US) 2006-01-11 — — EP claimed
WO-2004087066-A2 HIF-1 INHIBITORS EMORY UNIVERSITY (US) 2004-10-14 — — WO claimed
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
US-20070099952-A1 Hif-1 inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 — — US disclosed
US-20070099952-A1 Hif-1 inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 — — 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 (2 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-20070099952-A1 Hif-1 inhibitors HIF1AN, HIF1A, EGLN2 HIF1A 2/4885CYP17A1 2390/4885PTPN1 3949/4885
US-20100087478-A1 HIF-1 Inhibitors HIF1AN, HIF1A, EGLN2 HIF1A 2/4885CYP17A1 2390/4885PTPN1 3949/4885

“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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