SCHEMBL955795

SCHEMBL955795

Cc1cccc(P(c2cccc(C)n2)c2cccc(C)n2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.52
CCR8 P51685 1/20 0.52
NOS3 P29474 1/20 0.48
NOS2 P35228 1/20 0.48
RAB9A P51151 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GRM5 P41594 4/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HDAC6 Q9UBN7 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
PKM P14618 2/20 0.38
HPGD P15428 2/20 0.38
CYP2C19 P33261 2/20 0.38
THPO P40225 2/20 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
SCHEMBL1217571 0.84 KDM4E (0.50) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL231108 0.84 KDM4E (0.45) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL2463151 0.83 CCR1 (0.41) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL1219902 0.83 CCR1 (0.41) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL28509210 0.83 KDM4E (0.44) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL1218581 0.81 ACHE (0.41) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL1219181 0.80 RAB9A (0.40) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL1219522 0.80 GRM5 (0.45) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL1219260 0.80 TGFBR1 (0.41) CCR1CCR8NOS3NOS2RAB9A
SCHEMBL1218757 0.77 GRM5 (0.43) CCR1CCR8RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5158921-A Catalyst system which contains palladium compound and phosphine SHELL OIL COMPANY (US) 1992-10-27 US claimed
US-5099062-A Reaction of acetylenic compound with carbon monoxide to form unsaturated monomers SHELL OIL COMPANY (US) 1992-03-24 US claimed
EP-2256102-B1 PROCESS FOR PRODUCTION OF ALKOXYCARBONYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2018-09-26 EP disclosed
EP-2828232-B1 PROCESS FOR PRODUCING ALKYL METHACRYLATE SUMITOMO CHEMICAL CO (JP) 2016-04-20 EP disclosed
EP-2828232-A1 PROCESS FOR PRODUCING ALKYL METHACRYLATE Sumitomo Chemical Company Limited (JP) 2015-01-28 EP disclosed
US-8617723-B2 Metal complexes MERCK PATENT GMBH (DE) 2013-12-31 US disclosed
WO-2013141004-A1 PROCESS FOR PRODUCING ALKYL METHACRYLATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-26 WO disclosed
US-8399699-B2 Process for production of alkoxycarbonyl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-19 US disclosed
WO-2011111806-A1 METHOD FOR PRODUCING α, β-UNSATURATED CARBOXYLATE, AND CATALYST FOR PRODUCING THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-15 WO disclosed
US-20110046417-A1 PROCESS FOR PRODUCTION OF ALKOXYCARBONYL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-24 US disclosed
US-20110012100-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-01-20 US disclosed
US-5166116-A Coordination catalysts of phosphine, group 8 metal, protons and sulfonate SHELL OIL COMPANY (US) 1992-11-24 US disclosed
US-5158921-A Catalyst system which contains palladium compound and phosphine SHELL OIL COMPANY (US) 1992-10-27 US disclosed
US-5128475-A PREPARATION OF AMIDES SHELL OIL COMPANY (US) 1992-07-07 US disclosed
US-5124300-A Group 8 metal, aromatic phosphine, proton source, tertiary amine SHELL OIL COMPANY (US) 1992-06-23 US disclosed
US-5099062-A Reaction of acetylenic compound with carbon monoxide to form unsaturated monomers SHELL OIL COMPANY (US) 1992-03-24 US disclosed
EP-0441447-A1 Carbonylation catalyst process SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-08-14 EP disclosed
EP-0441446-A1 Carbonylation catalyst system SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-08-14 EP disclosed
EP-0441445-A2 Preparation of amides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-08-14 EP disclosed
EP-0386833-A1 Carbonylation catalyst system SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-09-12 EP 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-20110046417-A1 PROCESS FOR PRODUCTION OF ALKOXYCARBONYL COMPOUND ADH1A, NAA50, NAA10 CCR1 3334/4885CCR8 2571/4885NOS3 3203/4885
US-20110012100-A1 METAL COMPLEXES AP1M1, AP3M1, SOD1 CCR1 1608/4885CCR8 3259/4885NOS3 2431/4885

“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.