SCHEMBL6799758

SCHEMBL6799758

[CH2]c1ccc(OCC)cc1OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.52
KDM4E B2RXH2 3/20 0.51
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TP53 P04637 3/20 0.42
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ESR2 Q92731 1/20 0.42
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
BRCA1 P38398 1/20 0.41
HBB P68871 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL10980280 0.88 CA12 (0.47) NQO1KDM4ETSHRKMT2ACYP3A4
SCHEMBL10983336 0.88 NQO1 (0.48) NQO1KDM4ETSHRTDP1MEN1
SCHEMBL6986070 0.83 NQO1 (0.52) NQO1KDM4ETSHRTDP1MEN1
SCHEMBL29657372 0.80 NQO1 (0.59) NQO1KDM4ETSHRTDP1MEN1
SCHEMBL2498271 0.80 NQO1 (0.59) NQO1KDM4ETSHRTDP1MEN1
SCHEMBL5248264 0.80 LTA4H (0.43) KDM4EMEN1KMT2ANPC1TP53
SCHEMBL28929724 0.79 NQO1 (0.52) NQO1KDM4ETSHRTDP1MEN1
SCHEMBL11517659 0.78 HPGD (0.47) KDM4ETSHRTDP1MEN1KMT2A
SCHEMBL7682786 0.78 NQO1 (0.50) NQO1KDM4ETSHRTDP1MEN1
SCHEMBL6534880 0.78 LTA4H (0.52) NQO1KDM4ETSHRTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
CN-100404517-C Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for their preparation BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 CN disclosed
CN-1294129-C Heteraryl-substituted porrole derivatives, their prep. and therapeutic use SANKYO CO (JP) 2007-01-10 CN disclosed
US-6740651-B2 TREATING PARTICULARLY TUMORAL DISEASES, DISEASES OF THE LUNGS AND RESPIRATORY TRACT. BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-05-25 US disclosed
CN-1449390-A Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for their preparation BOEHRINGER INGELHEIM PHARMA (DE) 2003-10-15 CN disclosed
EP-0985671-B1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
US-20020115675-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-22 US disclosed
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
US-6403580-B1 HAVING AN INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES, THE USE THEREOF FOR TREATING DISEASES, PARTICULARLY TUMORAL DISEASES, DISEASES OF THE LUNGS AND RESPIRATORY TRACT, AND THE PREPARATION THEREOF. BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-11 US disclosed
EP-0511879-B1 Pyrazine derivatives OTSUKA PHARMA CO LTD (JP) 1995-03-22 EP disclosed
WO-1995002593-A1 PIPERAZINE DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-01-26 WO disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed
CN-1067053-A Pyrazines derivatives and preparation method thereof OTSUKA PHARMA CO LTD (JP) 1992-12-16 CN disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed
US-4801750-A Process for the produciton of 2-chloroacetoacetic acid amides LONZA LTD. (CH) 1989-01-31 US disclosed
US-4497815-A 1-(N-Substituted carbamoyl)-5-fluorouracil derivatives and the carcinostatic agents containing same as active ingredients Ozaki, Shoichiro (JP) 1985-02-05 US disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 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 (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-20020115675-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K20, MAP3K19 NQO1 2262/4885KDM4E 3299/4885TSHR 2768/4885

“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.