SCHEMBL104514

SCHEMBL104514

CC(C)c1cccc(CN2CCOCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.60
HTT P42858 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
NOS1 P29475 1/20 0.55
MAPT P10636 1/20 0.54
KCNH2 Q12809 1/20 0.50
HRH3 Q9Y5N1 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
CXCR4 P61073 1/20 0.46
PSMB8 P28062 1/20 0.46

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
SCHEMBL26378172 0.91 NCF1 (0.55) NCF1HTTKDM4EALDH1A1HPGD
SCHEMBL10142734 0.87 NCF1 (0.56) NCF1HTTKDM4EALDH1A1HPGD
SCHEMBL4547888 0.85 PRMT6 (0.57) KDM4EALDH1A1HRH3SMN1; SMN2
SCHEMBL13531007 0.85 NCF1 (0.57) NCF1HTTKDM4EALDH1A1HPGD
SCHEMBL26378178 0.84 KCNH2 (0.54) NCF1HTTKDM4EALDH1A1HPGD
SCHEMBL26378175 0.84 HRH3 (0.62) NCF1MAPTKCNH2HRH3SMN1; SMN2
SCHEMBL1619365 0.84 SMN1; SMN2 (0.58) HTTKDM4EALDH1A1HRH3SMN1; SMN2
SCHEMBL11196105 0.83 NCF1 (0.83) NCF1HTTKDM4EALDH1A1HPGD
SCHEMBL10053128 0.83 MC4R (0.59) NCF1HRH3NPC1TP53RAB9A
SCHEMBL14619125 0.83 ALDH1A1 (0.56) KDM4EALDH1A1SMN1; SMN2NPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240206470-A1 VOLATILE APPLICATIONS AGAINST PATHOGENS AGROFRESH INC (US) 2024-06-27 US disclosed
US-11897874-B2 Compounds and methods for modulating Interleukin-2-inducible T-cell kinase CORVUS PHARMACEUTICALS, INC. (US) 2024-02-13 US disclosed
US-11897874-B2 Compounds and methods for modulating Interleukin-2-inducible T-cell kinase CORVUS PHARMACEUTICALS, INC. (US) 2024-02-13 US disclosed
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-02 US disclosed
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-02 US disclosed
US-11771089-B2 Large-scale methods of uniformly coating packaging surfaces with a volatile antimicrobial to preserve food freshness AGROFRESH INC. (US) 2023-10-03 US disclosed
US-11766043-B2 Vaporized administration of pesticides AGROFRESH INC. (US) 2023-09-26 US disclosed
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-09-14 US disclosed
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-09-14 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 US disclosed
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES CHEN JAMES M 2009-05-21 US disclosed
US-7462608-B2 Non nucleoside reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2008-12-09 US disclosed
WO-2008121592-A2 ACETYL COENZYME A CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-09 WO disclosed
US-20080167270-A1 ANTI-INFECTIVE PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2008-07-10 US disclosed
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use ANACOR PHARMACEUTICALS (US) 2007-11-15 US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2007-02-01 US disclosed
WO-2007013964-A1 PYRAZOLO PYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2007-02-01 WO 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 (13 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-20080167270-A1 ANTI-INFECTIVE PHOSPHONATE ANALOGS PHOSPHO1, PGLS, PSPH NCF1 340/4885HTT 4445/4885KDM4E 4206/4885
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE NEDD4, CBL, UBQLN2 NCF1 2006/4885HTT 35/4885KDM4E 2603/4885
US-20240206470-A1 VOLATILE APPLICATIONS AGAINST PATHOGENS OXA1L, VAPB, TIAL1 NCF1 1994/4885HTT 4094/4885KDM4E 3619/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 NCF1 2240/4885HTT 3657/4885KDM4E 1689/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 NCF1 1296/4885HTT 4413/4885KDM4E 2973/4885
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES PHOSPHO1, G6PC1, PC NCF1 2972/4885HTT 1483/4885KDM4E 2877/4885
US-11766043-B2 Vaporized administration of pesticides GPX4, CAT, PRDX2 NCF1 1097/4885HTT 1014/4885KDM4E 2185/4885
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC NCF1 3307/4885HTT 4789/4885KDM4E 951/4885
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS PIK3CA, PNKP, PIK3CB NCF1 1531/4885HTT 4357/4885KDM4E 1343/4885
US-11771089-B2 Large-scale methods of uniformly coating packaging surfaces with a volatile antimicrobial to preserve food freshness TAS2R10, FOSB, TMBIM6 NCF1 1204/4885HTT 3857/4885KDM4E 410/4885
US-11897874-B2 Compounds and methods for modulating Interleukin-2-inducible T-cell kinase IL2, NFATC1, IL2RA NCF1 716/4885HTT 4524/4885KDM4E 2011/4885
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME CSNK1A1, CSNK1G1, CSNK1G3 NCF1 1345/4885HTT 2446/4885KDM4E 1779/4885
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use GAA, BTD, MANBA NCF1 1533/4885HTT 1677/4885KDM4E 2487/4885

“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.