SCHEMBL1068540

SCHEMBL1068540

c1ccc(P(CCN(CCP(c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
OPRK1 P41145 1/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
TSHR P16473 2/20 0.31
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD1 P21728 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRM1 P35372 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 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
SCHEMBL23637367 0.89 CARM1 (0.37) CYP3A4TDP1TAAR1
SCHEMBL5039661 0.89 HTR1A (0.42) OPRK1HTR1ADRD1OPRM1DRD3
SCHEMBL18213635 0.89 HTR1A (0.42) OPRK1HTR1ADRD1OPRM1DRD3
SCHEMBL18216549 0.89 CYP3A4 (0.32) CYP3A4TDP1
SCHEMBL348351 0.89 KDM4E (0.39) CYP3A4TDP1TSHRALDH1A1OPRM1
SCHEMBL8770815 0.88 LCK (0.36)
SCHEMBL8723759 0.88 SIGMAR1 (0.42) CYP3A4OPRK1TSHRALDH1A1CHRM2
SCHEMBL2879292 0.87 KCNH2 (0.47) TSHRALDH1A1CHRM2HTR1AADRA2A
SCHEMBL9619532 0.87 SIGMAR1 (0.44) CYP3A4OPRK1TSHRALDH1A1CHRM2
SCHEMBL5033519 0.86 MEN1 (0.45) TDP1OPRK1CHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3921298-B1 PROCESS FOR THE PRODUCTION OF ACETALS FROM CARBON DIOXIDE BASF SE (DE) 2025-12-03 EP claimed
US-12172953-B2 Process for the production of acetals from carbon dioxide BASF SE (DE) 2024-12-24 US claimed
US-20220119332-A1 PROCESS FOR THE PRODUCTION OF ACETALS FROM CARBON DIOXIDE BASF SE (DE) 2022-04-21 US claimed
CN-113423682-A Process for producing acetals from carbon dioxide 巴斯夫欧洲公司 2021-09-21 CN claimed
EP-2022803-B1 PROCESS FOR PRODUCING FUNCTIONALIZED POLYMERS BRIDGESTONE CORP (JP) 2016-09-14 EP claimed
US-9178254-B2 Lithium air battery SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-11-03 US claimed
US-8981020-B2 Process for producing functionalized polymers BRIDGESTONE CORPORATION (JP) 2015-03-17 US claimed
EP-2297160-B1 PROCESS FOR THE SYNTHESIS OF N-DEMETHYLATED MORPHINANE COMPOUNDS TPI ENTPR LTD (AU) 2014-09-24 EP claimed
EP-2463950-B1 Lithium air battery SAMSUNG ELECTRONICS CO LTD (KR) 2013-08-28 EP claimed
US-20130096267-A1 PROCESS FOR PRODUCING FUNCTIONALIZED POLYMERS BRIDGESTONE CORPORATION (JP) 2013-04-18 US claimed
EP-2463950-A1 Lithium air battery Samsung Electronics Co., Ltd. (KR) 2012-06-13 EP claimed
US-20120141889-A1 LITHIUM AIR BATTERY National University Corporation Mie (JP) 2012-06-07 US claimed
US-20110306766-A1 Process for the Synthesis of N-Demethylated Morphinane Compounds TPI ENTERPRISES LTD (AU) 2011-12-15 US claimed
JP-2011524376-A 2011-09-01 JP claimed
EP-2297160-A1 PROCESS FOR THE SYNTHESIS OF N-DEMETHYLATED MORPHINANE COMPOUNDS TPI Enterprises Pty Ltd (AU) 2011-03-23 EP claimed
WO-2009152577-A1 PROCESS FOR THE SYNTHESIS OF N-DEMETHYLATED MORPHINANE COMPOUNDS TPI ENTERPRISES PTY LTD (AU) 2009-12-23 WO claimed
US-20090043046-A1 Process for producing functionalized polymers BRIDGESTONE CORPORATION (JP) 2009-02-12 US claimed
EP-2022803-A2 Process for producing functionalized polymers Bridgestone Corporation (JP) 2009-02-11 EP claimed
EP-0788405-A1 CATALYST FOR THE PREPARATION OF LINEAR CARBON MONOXIDE/ALPHA-OLEFIN COPOLYMERS THE DOW CHEMICAL COMPANY (US) 1997-08-13 EP claimed
WO-1996001690-A1 CATALYST FOR THE PREPARATION OF LINEAR CARBON MONOXIDE/ALPHA-OLEFIN COPOLYMERS THE DOW CHEMICAL COMPANY (US) 1996-01-25 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-12172953-B2 Process for the production of acetals from carbon dioxide CA4, CA2, CA3 CYP3A4 1643/4885TDP1 4719/4885OPRK1 1919/4885
US-20220119332-A1 PROCESS FOR THE PRODUCTION OF ACETALS FROM CARBON DIOXIDE CA4, CA2, CA3 CYP3A4 1643/4885TDP1 4719/4885OPRK1 1919/4885
US-20110306766-A1 Process for the Synthesis of N-Demethylated Morphinane Compounds NNMT, PNMT, DNMT1 CYP3A4 143/4885TDP1 497/4885OPRK1 1333/4885

“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.