SCHEMBL967401

SCHEMBL967401

CCCCCCCCCCCCOc1ccc(C(=O)OC)cc1OCCCCCCCCCCCC

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 6/20 0.67
MGLL Q99685 3/20 0.59
THRA P10827 1/20 0.57
THRB P10828 1/20 0.57
CNR2 P34972 1/20 0.55
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
PLA2G4B P0C869 1/20 0.53
PDE4B Q07343 1/20 0.53
PTPN11 Q06124 1/20 0.52

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
SCHEMBL9304902 1.00 SMPD1 (0.67) SMPD1MGLLTHRATHRBCNR2
SCHEMBL9565566 1.00 SMPD1 (0.67) SMPD1MGLLTHRATHRBCNR2
SCHEMBL24950547 1.00 SMPD1 (0.67) SMPD1MGLLTHRATHRBCNR2
SCHEMBL7335792 0.98 SMPD1 (0.64) SMPD1MGLLTHRATHRBCNR2
SCHEMBL9307263 0.94 SMPD1 (0.76) SMPD1MGLLTHRATHRBCNR2
SCHEMBL29171402 0.94 SMPD1 (0.67) SMPD1MGLLTHRATHRBPLA2G4B
SCHEMBL29171445 0.94 SMPD1 (0.67) SMPD1MGLLTHRATHRBPLA2G4B
SCHEMBL14930509 0.94 SMPD1 (0.67) SMPD1MGLLTHRATHRBPLA2G4B
SCHEMBL9307505 0.94 SMPD1 (0.67) SMPD1MGLLTHRATHRBPLA2G4B
SCHEMBL29171438 0.94 SMPD1 (0.67) SMPD1MGLLTHRATHRBPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200290980-A1 POLYCATENAR LIGANDS AND HYBRID NANOPARTICLES MADE THEREFROM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-09-17 US disclosed
CN-109790128-A Multichain ligand and the mixing nano particle being made from it 罗地亚经营管理公司 2019-05-21 CN disclosed
EP-3430001-A1 POLYCATENAR LIGANDS AND HYBRID NANOPARTICLES MADE THEREFROM Rhodia Operations (FR) 2019-01-23 EP disclosed
WO-2017161293-A9 POLYCATENAR LIGANDS AND HYBRID NANOPARTICLES MADE THEREFROM RHODIA OPERATIONS (FR) 2019-01-10 WO disclosed
WO-2017161293-A1 POLYCATENAR LIGANDS AND HYBRID NANOPARTICLES MADE THEREFROM RHODIA OPERATIONS (FR) 2017-09-21 WO disclosed
CN-103980123-B Protocatechuic acid-based liquid crystal compound with high fullerene content and preparation method thereof SOOCHOW UNIVERSITY (CN) 2015-11-25 CN disclosed
CN-104447592-A Cyanuric acid derivative, disc-like liquid crystal material and melamine detection method UNIV SOUTHEAST 2015-03-25 CN disclosed
CN-103980123-A Protocatechuic acid-based liquid crystal compound with high fullerene content and preparation method thereof UNIV SOOCHOW 2014-08-13 CN disclosed
US-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety GEORGIA TECH RESEARCH CORPORATION (US) 2011-01-13 US disclosed
EP-2234991-A1 ROMP-POLYMERIZABLE ELECTRON TRANSPORT MATERIALS BASED ON A BIS-OXADIAZOLE MOIETY Georgia Tech Research Corporation (US) 2010-10-06 EP disclosed
WO-2009080797-A1 ROMP-POLYMERIZABLE ELECTRON TRANSPORT MATERIALS BASED ON A BIS-OXADIAZOLE MOIETY GEORGIA TECH RESEARCH CORPORATION (US) 2009-07-02 WO 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-20200290980-A1 POLYCATENAR LIGANDS AND HYBRID NANOPARTICLES MADE THEREFROM PICALM, CD63, EPCAM SMPD1 4768/4885MGLL 2813/4885THRA 3530/4885
US-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety SLCO1B3, SLCO4C1, SLCO2B1 SMPD1 4884/4885MGLL 4494/4885THRA 3279/4885

“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.