SCHEMBL5320056

SCHEMBL5320056

C1=C(CC2=CCCCC2)CCCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
ALOX15 P16050 2/20 0.44
PKM P14618 1/20 0.43
CXCR3 P49682 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
USP2 O75604 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL9419038 0.97 ALDH1A1 (0.50) ALDH1A1ALOX15PKMCXCR3SMN1; SMN2
SCHEMBL8677978 0.91 ALDH1A1 (0.44) ALDH1A1ALOX15PKMCXCR3SMN1; SMN2
SCHEMBL27265390 0.85 ALDH1A1 (0.46) ALDH1A1ALOX15PKMCXCR3SMN1; SMN2
SCHEMBL27516522 0.81 ALDH1A1 (0.43) ALDH1A1ALOX15PKMCXCR3SMN1; SMN2
SCHEMBL2513477 0.80 ALDH1A1 (0.52) ALDH1A1ALOX15PKMCXCR3SMN1; SMN2
SCHEMBL8381260 0.80 ALDH1A1 (0.52) ALDH1A1ALOX15PKMSMN1; SMN2USP2
SCHEMBL8113159 0.79 ALDH1A1 (0.42) ALDH1A1ALOX15PKMCXCR3SMN1; SMN2
SCHEMBL1399903 0.79 ALDH1A1 (0.50) ALDH1A1ALOX15CXCR3SMN1; SMN2USP2
SCHEMBL8671709 0.78 ALDH1A1 (0.50) ALDH1A1ALOX15PKMSMN1; SMN2USP2
SCHEMBL757213 0.78

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309189-B2 Method for producing nitrile compounds from ethylenically unsaturated compounds INVISTA NORTH AMERICA S.A R.L. (US) 2016-04-12 US claimed
US-20140249327-A1 METHOD FOR PRODUCING NITRILE COMPOUNDS FROM ETHYLENICALLY UNSATURATED COMPOUNDS INVISTA NORTH AMERICA SARL 2014-09-04 US claimed
EP-0781287-B1 METAL (III) COMPLEXES CONTAINING, NON-AROMATIC, ANIONIC, DIENYL GROUPS AND ADDITION POLYMERIZATION CATALYSTS THEREFROM DOW CHEMICAL CO (US) 2002-01-02 EP claimed
CN-102459144-B Polycarboxylic acid, composition thereof, curable resin composition, cured product, and method for producing polycarboxylic acid NIPPON KAYAKU KK 2014-07-16 CN disclosed
CN-103787887-A Polyvalent carboxylic acid, composition thereof, curable resin composition, cured product, and method for manufacturing a polyvalent carboxylic acid NIPPON KAYAKU KK 2014-05-14 CN disclosed
CN-102459144-A Polycarboxylic acid, composition thereof, curable resin composition, cured product, and method for producing polycarboxylic acid NIPPON KAYAKU KK 2012-05-16 CN disclosed
WO-2007088152-A1 PROCESS FOR PREPARING ISOCYANATES BASF SE (DE) 2007-08-09 WO disclosed
EP-0927187-B1 METAL COMPLEXES CONTAINING BRIDGED, NON-AROMATIC, ANIONIC, DIENYL GROUPS AND ADDITION POLYMERIZATION CATALYSTS THEREFROM DOW GLOBAL TECHNOLOGIES INC (US) 2002-12-04 EP disclosed
EP-0781287-B1 METAL (III) COMPLEXES CONTAINING, NON-AROMATIC, ANIONIC, DIENYL GROUPS AND ADDITION POLYMERIZATION CATALYSTS THEREFROM DOW CHEMICAL CO (US) 2002-01-02 EP disclosed
US-5990033-A GROUP 4 METAL COMPLEXES IN THE +2 OR +3 FORMAL OXIDATION STATE AND CONTAINING AN ANIONIC PENTADIENYL LIGAND OR A SUBSTITUTED DERIVATIVE THEREOF AND ACTIVATING COCATALYSTS ARE USED AS ADDITION POLYMERIZATION CATALYSTS THE DOW CHEMICAL COMPANY (US) 1999-11-23 US disclosed
US-5817849-A Metal complexes containing bridged non-aromatic, anionic, dienyl groups and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1998-10-06 US disclosed
EP-0781287-A1 METAL (III) COMPLEXES CONTAINING, NON-AROMATIC, ANIONIC, DIENYL GROUPS AND ADDITION POLYMERIZATION CATALYSTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1997-07-02 EP disclosed
EP-0781288-A1 METAL COMPLEXES CONTAINING NON-AROMATIC, ANIONIC, DIENYL GROUPS AND ADDITION POLYMERIZATION CATALYSTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1997-07-02 EP disclosed
US-5541349-A COORDINATION CATALYST COMPLEXES OF GROUP 4 METALS IN THE +2 OR +4 OXIDATION STATE AND BOUND TO CYCLIC, NONCYCLIC, NONAROMATIC, ANIONIC OR DIENYL GROUPS; STABILITY THE DOW CHEMICAL COMPANY (US) 1996-07-30 US disclosed
WO-1996016094-A1 PREPARATION OF SYNDIOTACTIC POLYOLEFINS FROM PROCHIRAL OLEFINS THE DOW CHEMICAL COMPANY (US) 1996-05-30 WO disclosed
WO-1996008498-A1 METAL COMPLEXES CONTAINING NON-AROMATIC, ANIONIC, DIENYL GROUPS AND ADDITION POLYMERIZATION CATALYSTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1996-03-21 WO disclosed
WO-1996008497-A1 METAL (III) COMPLEXES CONTAINING, NON-AROMATIC, ANIONIC, DIENYL GROUPS AND ADDITION POLYMERIZATION CATALYSTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1996-03-21 WO disclosed
US-5495036-A Metal (III) complexes containing conjugated, non-aromatic anionic II-bound groups and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1996-02-27 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-20140249327-A1 METHOD FOR PRODUCING NITRILE COMPOUNDS FROM ETHYLENICALLY UNSATURATED COMPOUNDS CBR3, CBR1, GCDH ALDH1A1 3074/4885ALOX15 7/4885PKM 1676/4885

“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.