SCHEMBL5598052

SCHEMBL5598052

CC(C=Cc1ccccc1)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
CYP2D6 P10635 5/20 0.42
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 4/20 0.42
CYP2C9 P11712 4/20 0.42
KCNA5 P22460 4/20 0.42
CYP2C19 P33261 4/20 0.42
KCNH2 Q12809 4/20 0.42
MCHR1 Q99705 1/20 0.42
KCNE1 P15382 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
SCHEMBL2744570 1.00 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28364662 0.98 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28364661 0.98 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18416421 0.84 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18421162 0.84 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2234912 0.81 CYP2D6 (0.45) CYP2D6CYP1A2CYP3A4CYP2C9KCNA5
SCHEMBL2743997 0.79 CYP3A4 (0.47) CYP2D6CYP1A2CYP3A4CYP2C9KCNA5
SCHEMBL2744000 0.79 CYP3A4 (0.47) CYP2D6CYP1A2CYP3A4CYP2C9KCNA5
SCHEMBL2464536 0.79 CYP2D6 (0.47) CYP2D6CYP1A2CYP3A4CYP2C9KCNA5
SCHEMBL28365047 0.77 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110734378-B Method for preparing chiral allylamine compound with high chemistry and stereoselectivity 武汉大学 2022-02-15 CN disclosed
US-20170029453-A1 BIS(PHOSPHINE)-CARBODICARBENE CATALYST COMPLEXES AND METHODS OF USING THE SAME THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-02-02 US disclosed
WO-2015159225-A1 BIS(PHOSPHINE)-CARBODICARBENE CATALYST COMPLEXES AND METHODS OF USING THE SAME THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-10-22 WO disclosed
US-7222650-B2 Tire with a tread comprising a rubbery polymer of a functionalized monomer THE GOODYEAR TIRE & RUBBER COMPANY (US) 2007-05-29 US disclosed
US-7041761-B2 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 2006-05-09 US disclosed
US-6995224-B2 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 2006-02-07 US disclosed
US-6936669-B2 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 2005-08-30 US disclosed
US-6933358-B2 Reacting secordary amine with 2,3-dihalopropene forming monomer THE GOODYEAR TIRE & RUBBER COMPANY (US) 2005-08-23 US disclosed
US-20050131181-A1 FUNCTIONALIZED MONOMERS FOR SYNTHESIS OF RUBBERY POLYMERS THE GOODYEAR TIRE & RUBBER COMPANY 2005-06-16 US disclosed
US-6901982-B2 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 2005-06-07 US disclosed
US-6812307-B2 FORMING FILLER COMPATIBLE MATERIALS; SOLUTION COPOLYMERIZING AT LEAST CONJUGATED DIOLEFIN AND AMINE FUNCTIONALIZED STYRENE MONOMER THE GOODYEAR TIRE & RUBBER COMPANY 2004-11-02 US disclosed
US-20040122194-A1 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY 2004-06-24 US disclosed
US-20040122224-A1 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY 2004-06-24 US disclosed
US-6753447-B2 REACTING SECONDARY AMINE WITH 2,3- DIHALOPROPENE TO PRODUCE A VINYL HALIDE CONTAINING CYCLIC TERTIARY AMINE; REACTING WITH VINYL MAGNESIUM HALIDE IN POLAR SOLVENT THE GOODYEAR TIRE & RUBBER COMPANY 2004-06-22 US disclosed
US-20040116635-A1 Functionalized monomers for synthesis of rubbery polymers GOODYEAR TIRE & RUBBER COMPANY, THE 2004-06-17 US disclosed
US-20040063884-A1 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY 2004-04-01 US disclosed
US-20040048972-A1 Functionalized monomers for synthesis of rubbery polymers GOODYEAR TIRE & RUBBER COMPANY, THE 2004-03-11 US disclosed
US-20040044157-A1 Functionalized monomers for synthesis of rubbery polymers GOODYEAR TIRE & RUBBER COMPANY, THE 2004-03-04 US disclosed
US-20040044202-A1 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY 2004-03-04 US disclosed
US-6693160-B1 FREE RADICAL COPOLYMERS OF CONJUGATED DIOLEFIN AND NITROGEN HETEROCYCLE FUNCTIONALIZED MONOMERS; LOW HYSTERESIS; FILLER COMPATIBILITY THE GOODYEAR TIRE & RUBBER COMPANY 2004-02-17 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 (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-20170029453-A1 BIS(PHOSPHINE)-CARBODICARBENE CATALYST COMPLEXES AND METHODS OF USING THE SAME FHIT, PNMT, HNMT HDAC3 3958/4885HDAC4 3605/4885HDAC1 2031/4885
US-20040044202-A1 Functionalized monomers for synthesis of rubbery polymers PRMT1, DDR2, DNMT3A HDAC3 3207/4885HDAC4 4364/4885HDAC1 2833/4885
US-20040063884-A1 Functionalized monomers for synthesis of rubbery polymers RDX, DPY30, RIF1 HDAC3 3576/4885HDAC4 3757/4885HDAC1 3143/4885
US-20040122224-A1 Functionalized monomers for synthesis of rubbery polymers PRMT1, DDR2, DNMT3A HDAC3 3207/4885HDAC4 4364/4885HDAC1 2833/4885

“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.