SCHEMBL2528860

SCHEMBL2528860

CC(C)CCOCCCCCC[O]

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
PRKCA P17252 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL2533297 1.00 ALDH1A1 (0.38) ALDH1A1TDP1MEN1THRBHTT
SCHEMBL2527273 0.98 ALDH1A1 (0.39) ALDH1A1TDP1HTTMAPTCA12
SCHEMBL2527386 0.91 ALDH1A1 (0.33) ALDH1A1MEN1THRBHTTKMT2A
SCHEMBL9813412 0.91 LMNA (0.39) ALDH1A1MEN1THRBHTTKMT2A
SCHEMBL2533550 0.91 ALDH1A1 (0.33) ALDH1A1MEN1THRBHTTKMT2A
SCHEMBL10878928 0.91 LMNA (0.39) ALDH1A1MEN1THRBHTTKMT2A
SCHEMBL2523631 0.91 ALDH1A1 (0.41) ALDH1A1TDP1CA12CA1CA2
SCHEMBL2528031 0.88 LMNA (0.35) ALDH1A1
SCHEMBL31086378 0.88 ALDH1A1 (0.40) ALDH1A1TDP1MEN1THRBHTT
SCHEMBL9945701 0.88 ALDH1A1 (0.40) ALDH1A1TDP1MEN1THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed
EP-1910340-B1 INDAZOLECARBOXAMIDE DERIVATIVES AS 5HT4 RECEPTOR AGONISTS PFIZER (US) 2009-11-18 EP disclosed
US-RE39088-E1 Amide compounds and use of the same JAPAN TOBACCO, INC. (JP) 2006-05-02 US disclosed
WO-2005082459-A2 METHOD OF DECREASING BLOOD CELLS JAPAN TOBACCO INC. (JP) 2005-09-09 WO disclosed
US-20050187221-A1 Method of treating ischemia reperfusion injury JAPAN TOBACCO INC. (JP) 2005-08-25 US disclosed
EP-0849256-B1 AMIDE COMPOUNDS AND USE OF THE SAME JAPAN TOBACCO INC (JP) 2005-06-08 EP disclosed
EP-1304322-A2 Carboxylic acid compound and use thereof Japan Tobacco Inc. (JP) 2003-04-23 EP disclosed
US-6420561-B1 Amide compounds and use thereof JAPAN TOBACCO INC. (JP) 2002-07-16 US disclosed
US-6174887-B1 Amide compounds and use of the same JAPAN TOBACCO INC. (JP) 2001-01-16 US disclosed
EP-0849256-A1 AMIDE COMPOUNDS AND USE OF THE SAME Japan Tobacco Inc. (JP) 1998-06-24 EP disclosed
EP-0330108-B1 3-Alkenyl-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO (JP) 1995-12-27 EP disclosed
US-5081237-A Chemical intermediates for bactericides FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-01-14 US disclosed
US-4923857-A CARBAPENICILLINS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-05-08 US disclosed
EP-0330108-A1 3-Alkenyl-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-30 EP 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-20050187221-A1 Method of treating ischemia reperfusion injury TNF, IL1B, TNNI3 ALDH1A1 358/4885TDP1 4141/4885MEN1 4862/4885

“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.