SCHEMBL4351689

SCHEMBL4351689

CC(=N/c1c(C)cccc1C)/C(C)=N\c1c(C)cccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.50
GRIN2D O15399 2/20 0.50
GRIN3B O60391 2/20 0.50
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
GRIN2B Q13224 2/20 0.50
GRIN2C Q14957 2/20 0.50
GRIN3A Q8TCU5 2/20 0.50
ATM Q13315 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 1/20 0.46
ALDH1A1 P00352 3/20 0.43
CYP2A6 P11509 2/20 0.39
CYP1A2 P05177 1/20 0.39
TRPA1 O75762 2/20 0.39
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL5354754 1.00 SIGMAR1 (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4351696 1.00 SIGMAR1 (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5588010 0.97 SIGMAR1 (0.48) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL11298158 0.95 SIGMAR1 (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL11298156 0.95 SIGMAR1 (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3736651 0.93 SIGMAR1 (0.46) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7056457 0.93 SIGMAR1 (0.46) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6056657 0.91 SIGMAR1 (0.44) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6056681 0.91 SIGMAR1 (0.44) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11298160 0.91 SIGMAR1 (0.44) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1110941-B1 Process for the codimerisation of polyunsaturated fatty compounds and olefines with iron complexes INST FRANCAIS DU PETROLE (FR) 2004-03-17 EP claimed
US-7612245-B2 converting 1,3-butadiene to cis-2-butene in presence of a hydrogenation catalyst mixture containing iron octanoate, triethylaluminium, 2,3-bis(2,6-dimethylphenylimino)butane; catalyst selectivity INSTITUT FRANCAIS DU PETROLE (FR) 2009-11-03 US disclosed
EP-1519787-B1 METHOD FOR SELECTIVE HYDROGENATION OF POLYUNSATURATED COMPOUNDS TO MONOUNSATURATED COMPOUNDS USING A HOMOGENEOUS CATALYST INST FRANCAIS DU PETROLE (FR) 2008-07-09 EP disclosed
US-20060129010-A1 Method for selective hydrogenation of polyunsaturated compounds into monounsaturated compounds using a homogeneous catalyst INSTITUTE FRANCAIS DU PETROLE (FR) 2006-06-15 US disclosed
EP-1519787-A1 METHOD FOR SELECTIVE HYDROGENATION OF POLYUNSATURATED COMPOUNDS INTO MONOUNSATURATED COMPOUNDS USING A HOMOGENEOUS CATALYST INSTITUT FRANCAIS DU PETROLE (FR) 2005-04-06 EP disclosed
WO-2004002624-A1 METHOD FOR SELECTIVE HYDROGENATION OF POLYUNSATURATED COMPOUNDS INTO MONOUNSATURATED COMPOUNDS USING A HOMOGENEOUS CATALYST INSTITUT FRANCAIS DU PETROLE (FR) 2004-01-08 WO disclosed
US-6444831-B2 A MONOOLEFINIC COMPOUND IS ADDED TO A FATTY SUBSTANCE THAT COMPRISES TWO CONJUGATED OR UNCONJUGATED ETHYELNE BONDS IN PRESENCE OF A CATALYTIC SYSTEM CONTAINING IRON COMPOUNDS, A REDUCING AGENT, A LIGAND WHICH CONTAINS NITROGEN, ARSANIC ETC INSTITUT FRANCAIS DU PETROLE (FR) 2002-09-03 US disclosed
US-20010005758-A1 Process for the codimerization of polyunsaturated fatty substances and olefins by iron complexes INSTITUT FRANCAIS DE PETROLE (FR) 2001-06-28 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-20060129010-A1 Method for selective hydrogenation of polyunsaturated compounds into monounsaturated compounds using a homogeneous catalyst PLA2G5, PLA2G2C, ELOVL6 SIGMAR1 614/4885GRIN2D 333/4885GRIN3B 483/4885

“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.