SCHEMBL728274

SCHEMBL728274

C=CCNc1cccc(NCC=C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MAPT P10636 5/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 4/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL1220014 0.86 CYP3A4 (0.47) CA12CA1CA2CA9MAPT
SCHEMBL31591724 0.86 CYP3A4 (0.47) CA12CA1CA2CA9MAPT
SCHEMBL3803430 0.86 MAPT (0.59) CA12CA1CA2CA9MAPT
SCHEMBL4033840 0.86 TGM2 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL2857440 0.86 MAPT (0.62) MAPTALDH1A1HTTCYP1A2CYP3A4
SCHEMBL6832452 0.86 MAPT (0.52) CA12CA1CA2CA9MAPT
SCHEMBL31497260 0.86 KMT2A (0.51) CA12CA1CA2CA9MAPT
Hydrochloric Acid SCHEMBL2857434 0.84 MAPT (0.60) MAPTALDH1A1HTTCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7963936 0.84 MAPT (0.51) CA12CA1CA2CA9MAPT
SCHEMBL11051 0.83 CA12 (0.53) CA12CA1CA2CA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4808625-B2 2011-11-02 JP claimed
EP-1684901-A4 DIIMINE LIGAND, METAL COMPOUND, OLEFIN POLYMERIZATION PROCESS FINA TECHNOLOGY (US) 2008-09-03 EP claimed
JP-2007509221-A 2007-04-12 JP claimed
EP-1684901-A1 DIIMINE LIGAND, METAL COMPOUND, OLEFIN POLYMERIZATION PROCESS FINA TECHNOLOGY, INC. (US) 2006-08-02 EP claimed
WO-2005042150-A1 DIIMINE LIGAND, METAL COMPOUND, OLEFIN POLYMERIZATION PROCESS FINA TECHNOLOGY, INC. (US) 2005-05-12 WO claimed
EP-3168256-B1 EYEWEAR MATERIAL COMPRISING A POLYURETHANE RESIN, EYEWEAR FRAME AND LENS MITSUI CHEMICALS INC (JP) 2019-08-07 EP disclosed
EP-3037411-B1 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED ARTICLE, EYEWEAR MATERIAL, EYEWEAR FRAME AND LENS MITSUI CHEMICALS INC (JP) 2019-03-27 EP disclosed
EP-2245123-B1 METHODS FOR PRODUCING ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS CHEMTURA CORP (US) 2017-07-19 EP disclosed
EP-3168256-A1 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED ARTICLE, EYEWEAR MATERIAL, EYEWEAR FRAME, AND LENS Mitsui Chemicals, Inc. (JP) 2017-05-17 EP disclosed
US-9475903-B2 1,4-bis(isocyanatomethyl)cyclohexane, polyisocyanate composition, polyurethane resin, molded article, eyewear material, eyewear frame, and lens MITSUI CHEMICALS, INC. (JP) 2016-10-25 US disclosed
US-9477012-B2 1,4-bis(isocyanatomethyl)cyclohexane, polyisocyanate composition, polyurethane resin, molded article, eyewear material, eyewear frame, and lens MITSUI CHEMICALS, INC. (JP) 2016-10-25 US disclosed
EP-3037411-A1 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED PRODUCT, EYEWEAR MATERIAL, EYEWEAR FRAME AND LENS Mitsui Chemicals, Inc. (JP) 2016-06-29 EP disclosed
US-20090242831-A1 AROMATIC HALOSULFONYL ISOCYANATE COMPOSITIONS GENERAL ELECTRIC COMPANY (US) 2009-10-01 US disclosed
US-20090242479-A1 AROMATIC HALOSULFONYL ISOCYANATE COMPOSITIONS GENERAL ELECTRIC COMPANY (US) 2009-10-01 US disclosed
WO-2009076091-A2 ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME CHEMTURA CORPORATION (US) 2009-06-18 WO disclosed
US-20090156449-A1 ALKYLATED 1,3-BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME LANXESS SOLUTIONS US INC. 2009-06-18 US disclosed
US-20080206502-A1 FLEXIBLE BARRIER MEMBRANES EMPLOYING POLY (HYDROXY AMINO ETHERS) CHANG YIHUA 2008-08-28 US disclosed
US-20070141282-A1 Flexible barrier membranes employing poly (hydroxy amino ethers) NIKE INTERNATIONAL, LTD. 2007-06-21 US disclosed
EP-0176161-A1 Novel fluoran compounds and production and use thereof TAOKA CHEMICAL CO., LTD (JP) 1986-04-02 EP disclosed
US-3846351-A SECONDARY AROMATIC ALKYL DIAMINES AS FOAM CATALYSTS AND CHAIN EXTENDERS EASTMAN KODAK CO 1974-11-05 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 (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-20090156449-A1 ALKYLATED 1,3-BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME BBOX1, ABHD5, BRD1 CA12 4350/4885CA1 4314/4885CA2 4698/4885
US-20090242831-A1 AROMATIC HALOSULFONYL ISOCYANATE COMPOSITIONS H1-10, INCENP, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CA12 1458/4885CA1 1068/4885CA2 354/4885

“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.