SCHEMBL1217644

SCHEMBL1217644

Clc1cccc(P(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.38
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
HTR3E A5X5Y0 2/20 0.31
HTR3B O95264 2/20 0.31
HTR3A P46098 2/20 0.31
HTR3D Q70Z44 2/20 0.31
HTR3C Q8WXA8 2/20 0.31
NFE2L2 Q16236 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8154502 0.96 GAA (0.50) GAAKDM4ECYP3A4TDP1TSHR
SCHEMBL8155129 0.84 TSHR (0.44) GAACYP3A4TDP1TSHRALDH1A1
SCHEMBL2846416 0.84 TDP1 (0.55) GAAKDM4ECYP3A4TDP1ESR1
SCHEMBL8674118 0.82 GRM5 (0.37) GAAKDM4ECYP3A4TSHRALDH1A1
SCHEMBL9333180 0.82 KDM4E (0.58) GAAKDM4ECYP3A4TDP1ESR1
SCHEMBL9333200 0.82 KDM4E (0.58) GAAKDM4ECYP3A4TDP1ESR1
SCHEMBL8153465 0.76 CYP3A4 (0.41) GAAKDM4ECYP3A4TDP1TSHR
SCHEMBL1219299 0.75 KDM4E (0.45) GAAKDM4ECYP3A4TDP1ESR1
SCHEMBL231108 0.75 KDM4E (0.45) GAAKDM4ECYP3A4TDP1TSHR
SCHEMBL5843107 0.75 KDM4E (0.45) GAAKDM4ECYP3A4TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117004663-A Method for synthesizing (R) -4-propyldihydrofuran-2 (3 hydrogen) -ketone 上海颐碳化学科技有限公司 2023-11-07 CN claimed
CN-116986961-A Synthesis method of chiral substituted succinic acid 上海颐碳化学科技有限公司 2023-11-03 CN claimed
EP-0724558-B1 PROCESS FOR THE CARBONYLATION OF ACETYLENICALLY UNSATURATED COMPOUNDS SHELL INT RESEARCH (NL) 1998-04-29 EP claimed
CN-116986961-A Synthesis method of chiral substituted succinic acid 上海颐碳化学科技有限公司 2023-11-03 CN disclosed
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
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
EP-2256102-A1 PROCESS FOR PRODUCTION OF ALKOXYCARBONYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-12-01 EP disclosed
EP-0696474-B1 Catalytic systems and methods for carbonylation DAICEL CHEM (JP) 2000-05-17 EP disclosed
EP-0948999-A1 Catalytic systems and method for carbonylation DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-13 EP disclosed
US-5908958-A USING CATALYST SHELL OIL COMPANY (US) 1999-06-01 US disclosed
US-5869738-A OF AN OLEFIN WITH CARBON MONOXIDE PRODUCING AN ACID DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-02-09 US disclosed
EP-0724558-B1 PROCESS FOR THE CARBONYLATION OF ACETYLENICALLY UNSATURATED COMPOUNDS SHELL INT RESEARCH (NL) 1998-04-29 EP disclosed
US-5731255-A GROUP VIII METAL SOURCE, LIGAND, ACID DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-24 US disclosed
EP-0696474-A2 Catalytic systems and methods for carbonylation DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-14 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 (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-20110046417-A1 PROCESS FOR PRODUCTION OF ALKOXYCARBONYL COMPOUND ADH1A, NAA50, NAA10 GAA 3320/4885KDM4E 767/4885CYP3A4 1204/4885

“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.