SCHEMBL997634

SCHEMBL997634

COc1cc(OC)nc(C(=O)c2c(Cl)ccc(Cl)c2C(=O)O)n1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL8809985 0.98 KDM4E (0.49) KDM4EALDH1A1HSD17B10
Isopropylamine SCHEMBL9565383 0.93 KDM4E (0.44) KDM4EALDH1A1HSD17B10
SCHEMBL8809973 0.85 KDM4E (0.37) KDM4EALDH1A1HSD17B10
Isopropylamine SCHEMBL8953470 0.85 KDM4E (0.40) KDM4EALDH1A1HSD17B10
SCHEMBL2284904 0.84 ALDH1A1 (0.38) KDM4EALDH1A1HSD17B10
SCHEMBL8812499 0.82 NPSR1 (0.44)
Ammonia Solution, Strong SCHEMBL9570533 0.81 CA12 (0.38) KDM4EALDH1A1HSD17B10
SCHEMBL2290901 0.79 CHRM4 (0.36) KDM4EALDH1A1HSD17B10
SCHEMBL2288979 0.76 CYP1A2 (0.38) ALDH1A1HSD17B10
SCHEMBL10181023 0.76 CYP1A2 (0.53) KDM4EALDH1A1

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0461079-B1 Substituted phthalides and heterocyclic phthalides CIBA GEIGY AG (CH) 1997-07-16 EP claimed
US-20140234225-A1 METHOD OF TREATMENT USING NANOPARTICULATE COMPOSITIONS HAVING LYSOZYME AS A SURFACE STABILIZER ALKERMES PHARMA IRELAND LIMITED (IE) 2014-08-21 US disclosed
US-8652464-B2 Method of treatment using nanoparticulate compositions having lysozyme as a surface stabilizer ALKERMES PHARMA IRELAND LIMITED (IE) 2014-02-18 US disclosed
US-20130224123-A1 NANOPARTICULATE COMPOSITIONS HAVING LYSOZYME AS A SURFACE STABILIZER ALKERMES PHARMA IRELAND LIMITED (IE) 2013-08-29 US disclosed
US-8323641-B2 Nanoparticulate compositions having lysozyme as a surface stabilizer ALKERMES PHARMA IRELAND LIMITED (IE) 2012-12-04 US disclosed
EP-2272342-B1 Herbicidal compositions BASF SE (DE) 2012-06-27 EP disclosed
EP-2050338-B1 Herbicidal compositions BASF SE (DE) 2011-05-25 EP disclosed
EP-2272342-A2 Herbicidal compositions BASF SE (DE) 2011-01-12 EP disclosed
EP-2272341-A2 Herbizide Zusammensetzungen BASF SE (DE) 2011-01-12 EP disclosed
US-7850995-B2 Bioadhesive nanoparticulate compositions having cationic surface stabilizers ELAN PHARMA INTERNATIONAL, LTD. (IE) 2010-12-14 US disclosed
US-5665674-A SEMICARBAZONES SANDOZ LTD. (CH) 1997-09-09 US disclosed
US-5665673-A SEMICARBAZONES BASF AKTIENGESELLSCHAFT (DE) 1997-09-09 US disclosed
US-5633437-A ISOLATED NUCLEIC ACID SEQUENCE SANDOZ LTD. (CH) 1997-05-27 US disclosed
US-5627138-A HERBICIDES SANDOZ LTD. (CH) 1997-05-06 US disclosed
US-5627137-A HERBICIDES SANDOZ LTD. (CH) 1997-05-06 US disclosed
US-5561101-A HERBICIDES SANDOZ LTD. (CH) 1996-10-01 US disclosed
US-5506192-A HERBICIDES SANDOZ LTD. 1996-04-09 US disclosed
EP-0646315-A1 Novel compositions containing an auxin transport inhibitor and another herbicide SANDOZ LTD. (CH) 1995-04-05 EP disclosed
EP-0614606-A2 Herbicidal compositions SANDOZ LTD. (CH) 1994-09-14 EP disclosed
EP-0549524-A1 Substituted phthalides and heterocyclic phthalides and their use in agriculture SANDOZ LTD. (CH) 1993-06-30 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 (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-20140234225-A1 METHOD OF TREATMENT USING NANOPARTICULATE COMPOSITIONS HAVING LYSOZYME AS A SURFACE STABILIZER LPO, LCT, LIPA KDM4E 2042/4885ALDH1A1 2578/4885HSD17B10 2494/4885
US-20130224123-A1 NANOPARTICULATE COMPOSITIONS HAVING LYSOZYME AS A SURFACE STABILIZER LPO, LCT, CTSA KDM4E 1781/4885ALDH1A1 2533/4885HSD17B10 3100/4885

“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.