SCHEMBL5077004

SCHEMBL5077004

CCCC(Cl)CC.CCCCC(C)Cl.CCCCCCCl

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.36
DNM1 Q05193 2/20 0.35
TRPM8 Q7Z2W7 3/20 0.32
OPRM1 P35372 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
SCHEMBL5623178 0.95 TSHR (0.43) TSHRALDH1A1TDP1DNM1TRPM8
SCHEMBL27477168 0.91 TSHR (0.50) TSHRALDH1A1TDP1DNM1TRPM8
SCHEMBL9324912 0.91 TSHR (0.50) TSHRALDH1A1TDP1DNM1TRPM8
SCHEMBL29055263 0.88 TSHR (0.62) TSHRALDH1A1TDP1DNM1TRPM8
SCHEMBL230466 0.87 DNM1 (0.37) TSHRDNM1TRPM8OPRM1
SCHEMBL28996019 0.84 TSHR (0.62) TSHRALDH1A1TDP1DNM1OPRM1
SCHEMBL28996073 0.84 TSHR (0.62) TSHRALDH1A1TDP1DNM1OPRM1
SCHEMBL21462890 0.82 TSHR (0.59) TSHRALDH1A1TDP1DNM1OPRM1
SCHEMBL29055258 0.82 OPRM1 (0.41) TSHRALDH1A1DNM1TRPM8OPRM1
SCHEMBL28993072 0.76 TSHR (0.62) TSHRALDH1A1TDP1DNM1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107699131-A A kind of waterproof powdery paints and preparation method thereof 浙江华彩新材料有限公司 2018-02-16 CN claimed
CN-107641468-A A kind of water proof fire retardant powdery paints and preparation method thereof 浙江华彩新材料有限公司 2018-01-30 CN claimed
CN-104211654-B A kind of preparation method and intermediate of Rivaroxaban intermediate 联化科技(台州)有限公司 2017-03-29 CN claimed
CN-106146457-A A kind of 5-chloro-2-acyl chlorides thiophene intermediate and preparation method thereof 联化科技(台州)有限公司 2016-11-23 CN claimed
CN-104211654-A Preparation method of rivaroxaban intermediate and intermediate LIANHUA SCIENCE & TECHNOLOGY TAIZHOU CO LTD 2014-12-17 CN claimed
US-20050001333-A1 Method for producing, via organometallic compounds, organic intermediate products ARCHIMICA GMBH (DE) 2005-01-06 US claimed
US-6013847-A USING PLATINUM CONTAINING CATALYST IN THE PRESENCE OF WATER AND AN ORGANIC CHLORIDE; ALLEVIATING THE DEACTIVATION OF THE CATALYST CAUSED BY THE PRESENCE OF WATER BY HAVING AT LEAST ONE ORGANIC CHLORINE COMPOUND PRESENT IN THE REACTION MIXTURE PHILLIPS PETROLEUM COMPANY (US) 2000-01-11 US claimed
US-5557029-A ADDITION OF HCL OR ORGANIC CHLORIDE TO PREVENT DEACTIVATION OF CATALYST BY SULFUR IMPURITIES PHILLIPS PETROLEUM COMPANY (US) 1996-09-17 US claimed
US-4046819-A Alkylation of alkyl, cycloalkyl and aralkyl halides UOP INC. (US) 1977-09-06 US claimed
CN-107923060-B Aqueous copper plating bath and method for depositing copper or copper alloy onto a substrate 埃托特克德国有限公司 2020-03-10 CN disclosed
CN-107674095-B A kind of vitamin D3Cyclic phosphate and preparation method thereof 无锡福祈制药有限公司 2019-09-03 CN disclosed
CN-107674097-B A kind of vitamin D3Cyclophosphamide and preparation method thereof 无锡福祈制药有限公司 2019-09-03 CN disclosed
CN-105384608-B A kind of cumene amphyl and preparation method thereof 四川海思科制药有限公司 2019-08-16 CN disclosed
CN-105384607-B A kind of cumene amphyl and preparation method thereof 四川海思科制药有限公司 2019-08-16 CN disclosed
WO-1994012858-A1 SOLID STATE DEVICE FOR MONITORING INTEGRAL VALUES OF TIME AND TEMPERATURE OF STORAGE OF PERISHABLES JP LABORATORIES, INC. (US) 1994-06-09 WO disclosed
US-5254473-A Solid state device for monitoring integral values of time and temperature of storage of perishables JP LABORATORIES 1993-10-19 US disclosed
EP-0398889-A4 DEGRADATION OF ORGANOCHLORINES 1991-07-31 EP disclosed
EP-0398889-A1 DEGRADATION OF ORGANOCHLORINES THE UNIVERSITY OF SYDNEY (AU) 1990-11-28 EP disclosed
WO-1989005172-A1 DEGRADATION OF ORGANOCHLORINES THE UNIVERSITY OF SYDNEY (AU) 1989-06-15 WO disclosed
US-4046819-A Alkylation of alkyl, cycloalkyl and aralkyl halides UOP INC. (US) 1977-09-06 US 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-20050001333-A1 Method for producing, via organometallic compounds, organic intermediate products NISCH, HDHD5, TYR TSHR 140/4885ALDH1A1 1849/4885TDP1 4482/4885

“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.