SCHEMBL7933716

SCHEMBL7933716

CCCN(CCO)CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 1/20 0.38
CYP2C9 P11712 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CA12 O43570 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
HSD17B10 Q99714 2/20 0.33
CA1 P00915 2/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL339998 0.90 MAPT (0.45) CYP1A2MAPK1MAPTCYP2C9NPSR1
SCHEMBL1686727 0.87 CYP1A2 (0.48) CYP1A2MAPK1CA12CA2CA9
SCHEMBL7927848 0.86 ALDH1A1 (0.36) CYP1A2MAPK1MAPTCYP2C9CA12
SCHEMBL557796 0.85 MAPT (0.45) CYP1A2MAPK1MAPTCYP2C9CA12
SCHEMBL9945707 0.84 ALDH1A1 (0.40) CYP1A2MAPK1MAPTCYP2C9NPSR1
SCHEMBL20996691 0.84 KDM4E (0.34) CYP1A2MAPK1MAPTCYP2C9NPSR1
SCHEMBL12039759 0.83 ALDH1A1 (0.43) CYP1A2MAPK1MAPTCYP2C9NPSR1
SCHEMBL7931178 0.83 CYP1A2 (0.43) CYP1A2MAPK1MAPTCYP2C9CYP2D6
SCHEMBL7965040 0.83 CYP1A2 (0.41) CYP1A2MAPK1CA12CA2CA9
SCHEMBL4618195 0.82 CYP1A2 (0.48) CYP1A2MAPK1CA12CA2CA9

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-20170000784-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2017-01-05 US disclosed
US-20160137607-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2016-05-19 US disclosed
US-9221760-B2 Autophagy inhibitors VAN ANDEL RESEARCH INSTITUTE (US) 2015-12-29 US disclosed
US-20140148451-A1 Autophagy Inhibitors TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2014-05-29 US disclosed
US-20010031865-A1 Substituted 3-phenyluracils KLINTZ RALF (DE) 2001-10-18 US disclosed
US-6239074-B1 HERBICIDES, INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-05-29 US disclosed
US-6204222-B1 SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed
EP-0637298-B1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AG (DE) 1999-03-31 EP disclosed
US-5817603-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed
US-5602074-A HERBICIDES; PLANT DESICCATION, DEFOLIATION BASF AKTIENGESELLSCHAFT (DE) 1997-02-11 US disclosed
EP-0641321-A1 SUBSTITUTED ISOINDOLONES BASF Aktiengesellschaft (DE) 1995-03-08 EP disclosed
EP-0604491-A1 SUBSTITUTED 3-PHENYLURACILS AS HERBICIDES BASF Aktiengesellschaft (DE) 1994-07-06 EP disclosed
WO-1993024456-A1 SUBSTITUTED ISOINDOLONES BASF AKTIENGESELLSCHAFT (DE) 1993-12-09 WO disclosed
WO-1993022280-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-11-11 WO disclosed
WO-1993006090-A1 SUBSTITUTED 3-PHENYLURACILS AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1993-04-01 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 (4 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-20170000784-A1 Autophagy Inhibitors BRAF, HRAS, NRAS CYP1A2 948/4885MAPK1 61/4885MAPT 1219/4885
US-20140148451-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 CYP1A2 2734/4885MAPK1 1028/4885MAPT 393/4885
US-20160137607-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 CYP1A2 2734/4885MAPK1 1028/4885MAPT 393/4885
US-20010031865-A1 Substituted 3-phenyluracils CCR1, CCR6, CCR3 CYP1A2 2240/4885MAPK1 3667/4885MAPT 4647/4885

“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.