SCHEMBL45869

SCHEMBL45869

CCc1cccc(CC)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.52
CXCR4 P61073 2/20 0.48
HRH4 Q9H3N8 1/20 0.46
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
PARP1 P09874 1/20 0.42
PGK1 P00558 1/20 0.42
PGK2 P07205 1/20 0.42
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
GABRA1 P14867 2/20 0.38
GABRB2 P47870 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
SCHEMBL11564452 0.97 KCNH2 (0.50) KCNH2CXCR4HRH4GRIN2DGRIN3B
SCHEMBL660573 0.87 KCNH2 (0.43) KCNH2CXCR4HRH4GRIN2DGRIN3B
SCHEMBL2096973 0.87 KCNH2 (0.43) KCNH2CXCR4HRH4GRIN2DGRIN3B
SCHEMBL3709903 0.87 KCNH2 (0.43) KCNH2CXCR4HRH4GRIN2DGRIN3B
SCHEMBL5104176 0.87 CCR1 (0.44) KCNH2CXCR4HRH4GRIN2DGRIN3B
SCHEMBL7685870 0.87 KCNH2 (0.59) KCNH2CXCR4HRH4GRIN2DGRIN3B
SCHEMBL15223507 0.87 KCNH2 (0.43) KCNH2CXCR4HRH4GRIN2DGRIN3B
SCHEMBL12242755 0.87 KCNH2 (0.43) KCNH2CXCR4HRH4GRIN2DGRIN3B
SCHEMBL4046726 0.87 KCNH2 (0.48) KCNH2CXCR4HRH4GRIN2DGRIN3B
SCHEMBL244011 0.86 CCR1 (0.46) KCNH2CXCR4HRH4GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119143751-A N-ortho-acyl substituted nitrogen-containing heterocyclic compound and preparation method of amine-shrinking iron (II) complex thereof 中国石油化工股份有限公司 2024-12-17 CN claimed
CN-113754694-A Method for synthesizing Reidesvir by asymmetric catalysis of non-protecting group nucleoside 上海交通大学 2021-12-07 CN claimed
CN-107011133-B Method for directly oxidizing benzylic C-H bond into ketone 中国科学技术大学 2020-01-03 CN claimed
US-9796800-B2 Process for producing polydienes BRIDGESTONE CORPORATION (JP) 2017-10-24 US claimed
US-20160108153-A1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORPORATION (JP) 2016-04-21 US claimed
US-9266982-B2 N ortho acyl substituted nitrogen-containing heterocyclic compound and process for preparing aminal iron (II) complexes thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2016-02-23 US claimed
US-9249244-B2 Process for producing polydienes BRIDGESTONE CORPORATION (JP) 2016-02-02 US claimed
US-20130267708-A1 N ORTHO ACYL SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PROCESS FOR PREPARING AMINAL IRON (II) COMPLEXES THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2013-10-10 US claimed
EP-2619233-A1 PROCESS FOR PRODUCING POLYDIENES Bridgestone Corporation (JP) 2013-07-31 EP claimed
WO-2012040026-A1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORPORATION (JP) 2012-03-29 WO claimed
WO-2006136695-A2 NOVEL P-CHIRAL FUNCTIONALISED ARYLPHOSPHINES AND DERIVATIVES, THE PREPARATION AND USE THEREOF FOR ASYMMETRICAL CATALYSIS PHOSPHOENIX SARL (FR) 2006-12-28 WO claimed
WO-2006021304-A1 METHOD FOR HIGH-PURITY QUATERNARY AMMONIUM COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2006-03-02 WO claimed
WO-2006021302-A1 METHOD FOR PRODUCING HIGH-PURITY QUATERNARY AMMONIUM COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2006-03-02 WO claimed
US-20020147331-A1 Methods for synthesis of oligonucleotides ISIS PHARMACEUTICALS, INC. 2002-10-10 US claimed
WO-2002062811-A2 IMPROVED METHODS FOR SYNTHESIS OF OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 2002-08-15 WO claimed
EP-0729985-A2 Ethylene-propylene copolymer compositions SHELL OIL COMPANY (US) 1996-09-04 EP claimed
US-5495009-A TREATING WITH BROMINE IN PRESENCE OF 2,6-DIETHYLPYRIDINE AND MOLECULAR SIEVES FOLLOWED BY TREATMENT WITH TETRABUTYLAMMONIUM FLUORIDE IN TETRAHYDROFURAN GILEAD SCIENCES, INC. (US) 1996-02-27 US claimed
US-5229477-A Randomness SHELL OIL COMPANY (US) 1993-07-20 US claimed
WO-1992019637-A1 OLIGONUCLEOTIDE ANALOGS CONTAINING THIOFORMACETAL LINKAGES GILEAD SCIENCES, INC. (US) 1992-11-12 WO claimed
EP-0493070-A2 Ethylene-propylene copolymer compositions SHELL OIL COMPANY (US) 1992-07-01 EP 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 (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-20020147331-A1 Methods for synthesis of oligonucleotides RNGTT, TYMP, PNP KCNH2 4292/4885CXCR4 1353/4885HRH4 4470/4885

“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.