SCHEMBL1129788

SCHEMBL1129788

CCOc1c(C)occc1=O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
GAA P10253 1/20 0.63
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 1/20 0.51
KDM4E B2RXH2 1/20 0.47
LDHA P00338 13/20 0.44
KCNA2 P16389 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL92986 0.85 LMNA (0.59) LMNAGAAKMT2AALDH1A1KDM4E
SCHEMBL2466435 0.79 LMNA (0.56) LMNAGAAKMT2AALDH1A1KDM4E
SCHEMBL17228662 0.79 KCNA2 (0.43) LMNAGAAKMT2AALDH1A1KDM4E
SCHEMBL9263666 0.79 LMNA (0.56) LMNAGAAKMT2AALDH1A1KDM4E
SCHEMBL9264609 0.79 LMNA (0.56) LMNAGAAKMT2AALDH1A1KDM4E
SCHEMBL21261241 0.79 LMNA (0.56) LMNAGAAKMT2AALDH1A1KDM4E
SCHEMBL31447811 0.79 LMNA (0.60) LMNAGAAKMT2AALDH1A1KDM4E
SCHEMBL7100551 0.78 LMNA (0.54) LMNAGAAKMT2AALDH1A1KDM4E
SCHEMBL10808024 0.78 LMNA (0.55) LMNAGAAKMT2AALDH1A1KDM4E
SCHEMBL81547 0.78 LMNA (1.00) LMNAGAAKMT2AALDH1A1LDHA

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
JP-57079858-A None JP disclosed
WO-2019153954-A1 MULTI-SUBSTITUTED BENZENE COMPOUND HAVING BIOLOGICAL ACTIVITY, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 广州自远生物科技有限公司 2019-08-15 WO disclosed
US-9458142-B2 Substituted quinones or analogues as colouring agents MERCK PATENT GMBH (DE) 2016-10-04 US disclosed
US-20150315177-A1 SUBSTITUTED QUINONES OR ANALOGUES AS COLOURING AGENTS MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
US-8252356-B2 Flavor composition or fragrance composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-08-28 US disclosed
EP-2010535-B1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2012-07-11 EP disclosed
US-8026244-B2 Thioxanthine derivatives and their use as inhibitors of MPO ASTRAZENECA AB (SE) 2011-09-27 US disclosed
US-20110171358-A1 Flavor composition or fragrance composition OGURA MIHARU 2011-07-14 US disclosed
EP-1944354-B1 FLAVOR COMPOSITION OR FRAGRANCE COMPOSITION, AND FLAVOR-IMPROVING AGENT TAKASAGO PERFUMERY CO LTD (JP) 2011-02-16 EP disclosed
US-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-06-11 US disclosed
EP-2010535-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO AstraZeneca AB (SE) 2009-01-07 EP disclosed
US-20080213451-A1 Flavor Composition or Fragrance Composition, and Flavor-Improving Agents TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-09-04 US disclosed
EP-1944354-A1 FLAVOR COMPOSITION OR FRAGRANCE COMPOSITION, AND FLAVOR-IMPROVING AGENT Takasago International Corporation (JP) 2008-07-16 EP disclosed
WO-2007120098-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2007-10-25 WO disclosed
JP-S5779858-A REMOVING OR REDUCING METHOD OF OFFENSIVE SMELL OF SOUP STOCK, DECOCTION OF CRUDE DRUG AND EXTRACT BY ADDITION OF MALTOL OKAMURA KAZUHIRO 1982-05-19 JP 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-20150315177-A1 SUBSTITUTED QUINONES OR ANALOGUES AS COLOURING AGENTS KRT18, IK, SDHA LMNA 1112/4885GAA 4363/4885KMT2A 944/4885
US-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO MPO, XDH, EPX LMNA 1000/4885GAA 517/4885KMT2A 2827/4885

“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.