SCHEMBL3049924

SCHEMBL3049924

CCOC(=O)c1ccc(CCCO)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4A11 Q02928 5/20 0.70
▸ CYP4F2 P78329 4/20 0.68
▸ CA12 O43570 2/20 0.58
▸ CA1 P00915 2/20 0.58
▸ CA2 P00918 2/20 0.58
▸ CA7 P43166 2/20 0.58
▸ CA9 Q16790 2/20 0.58
▸ CA14 Q9ULX7 2/20 0.58
▸ ESR1 P03372 1/20 0.58
▸ ESR2 Q92731 1/20 0.58
▸ LMNA P02545 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ MAOA P21397 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ HPGD P15428 4/20 0.50
▸ HTT P42858 3/20 0.50
▸ KCNJ1 P48048 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ NPC1 O15118 1/20 0.49

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
SCHEMBL4130116 0.95 CYP4A11 (0.71) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL6389650 0.89 CYP4A11 (0.64) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL570747 0.88 ESR1 (0.59) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL12199135 0.87 CA1 (0.68) CA12CA1CA2CA7CA9
SCHEMBL10610630 0.86 CA12 (0.58) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL570964 0.86 RARB (0.58) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL15122388 0.85 CYP4A11 (0.58) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL1701986 0.85 CYP4A11 (0.58) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL9045556 0.85 CA12 (0.53) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL25340300 0.85 SMN1; SMN2 (0.69) CYP4A11CYP4F2CA12CA1CA2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261914-A1 IAP BINDING COMPOUNDS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-10-14 — — US disclosed
US-20100261914-A1 IAP BINDING COMPOUNDS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-10-14 — — US disclosed
US-20100261914-A1 IAP BINDING COMPOUNDS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-10-14 — — US disclosed
US-7718600-B2 IAP binding compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-05-18 — — US disclosed
US-7718600-B2 IAP binding compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-05-18 — — US disclosed
US-7718600-B2 IAP binding compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-05-18 — — US disclosed
EP-1578777-B1 IAP BINDING COMPOUNDS UNIV PRINCETON (US) 2008-11-26 — — EP disclosed
EP-1578777-B1 IAP BINDING COMPOUNDS UNIV PRINCETON (US) 2008-11-26 — — EP disclosed
US-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 — — US disclosed
US-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 — — US disclosed
EP-1828124-A1 BIAROMATIC COMPOUNDS THAT MODULATE PPAR TYPE RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development (FR) 2007-09-05 — — EP disclosed
US-20070032437-A1 that bind cellular inhibitor of apoptosis proteins; drug design and development for diagnosis, prevention and treatment of cell proliferative disease; anticarcinogenic agents THE TRUSTEES OF PRINCETON UNIVERSITY 2007-02-08 — — US disclosed
US-20070032437-A1 that bind cellular inhibitor of apoptosis proteins; drug design and development for diagnosis, prevention and treatment of cell proliferative disease; anticarcinogenic agents THE TRUSTEES OF PRINCETON UNIVERSITY 2007-02-08 — — US disclosed
US-20070032437-A1 that bind cellular inhibitor of apoptosis proteins; drug design and development for diagnosis, prevention and treatment of cell proliferative disease; anticarcinogenic agents THE TRUSTEES OF PRINCETON UNIVERSITY 2007-02-08 — — US disclosed
EP-1578777-A4 IAP BINDING COMPOUNDS UNIV PRINCETON (US) 2006-08-16 — — EP disclosed
WO-2006063863-A1 BIAROMATIC COMPOUNDS THAT MODULATE PPAR TYPE RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-06-22 — — WO disclosed
EP-1578777-A2 IAP BINDING COMPOUNDS The Trustees of Princeton University (US) 2005-09-28 — — EP disclosed
WO-2004007529-A2 IAP BINDING COMPOUNDS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2004-01-22 — — WO disclosed
EP-0162208-B1 NOVEL N-SUBSTITUTED 3,4-DIHYDROPYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1989-11-23 — — EP disclosed
US-4683234-A HYPOTENSIVE AGENTS, ANTI-ANGINA SUNTORY LIMITED (JP) 1987-07-28 — — 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 (3 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-20070032437-A1 that bind cellular inhibitor of apoptosis proteins; drug design and development for diagnosis, prevention and treatment of cell proliferative disease; anticarcinogenic agents BIRC3, API5, BID CYP4A11 4831/4885CYP4F2 4292/4885CA12 3086/4885
US-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA CYP4A11 293/4885CYP4F2 445/4885CA12 4873/4885
US-20100261914-A1 IAP BINDING COMPOUNDS BIRC3, BIRC5, BIRC2 CYP4A11 4860/4885CYP4F2 4683/4885CA12 4357/4885

“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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