SCHEMBL3388767

SCHEMBL3388767

COc1cccc(C(C2=CCc3c(ccc4c3C=CC(C)(C)O4)C2)n2ccnc2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.42
▸ CYP11B2 P19099 2/20 0.42
▸ CYP19A1 P11511 10/20 0.37
▸ P4HB P07237 1/20 0.37
▸ HIF1A Q16665 4/20 0.36
▸ CYP17A1 P05093 1/20 0.35
▸ PTPN1 P18031 2/20 0.32
▸ ACHE P22303 1/20 0.32
▸ TBXAS1 P24557 1/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31

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
SCHEMBL3394622 0.85 CYP19A1 (0.44) CYP19A1P4HBHIF1ACYP17A1
SCHEMBL3394201 0.83 CYP19A1 (0.34) CYP19A1P4HBCYP17A1
SCHEMBL3395050 0.78 CYP19A1 (0.48) CYP11B1CYP11B2CYP19A1P4HBHIF1A
SCHEMBL3394245 0.71 CYP19A1 (0.58) CYP19A1P4HBHIF1ACYP17A1PTPN1
SCHEMBL3394928 0.69 CYP19A1 (0.50) CYP19A1P4HBHIF1APTPN1
SCHEMBL3390099 0.66 CYP19A1 (0.53) CYP11B1CYP11B2CYP19A1HIF1ACYP17A1
SCHEMBL13443147 0.65 CYP11B1 (0.42) CYP11B1CYP11B2CYP19A1P4HBCYP17A1
SCHEMBL3391074 0.64 HIF1A (0.52) HIF1ACYP17A1PTPN1
SCHEMBL13442919 0.63 CYP11B1 (0.43) CYP11B1CYP11B2CYP19A1P4HBHIF1A
SCHEMBL3390882 0.63 HIF1A (0.53) HIF1APTPN1

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 7 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
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
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 CYP11B1 381/4885CYP11B2 454/4885CYP19A1 1742/4885
US-20100087478-A1 HIF-1 Inhibitors HIF1AN, HIF1A, EGLN2 CYP11B1 381/4885CYP11B2 454/4885CYP19A1 1742/4885

“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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