SCHEMBL1950280

SCHEMBL1950280

Sc1ccc(Cl)c(Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 1/20 0.46
AHR P35869 6/20 0.39
TDP1 Q9NUW8 1/20 0.37
CYP2A6 P11509 2/20 0.35
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.32
IDO1 P14902 1/20 0.32
NOTUM Q6P988 3/20 0.31
CYP1B1 Q16678 1/20 0.31
TP53 P04637 1/20 0.30
PNMT P11086 1/20 0.30
LMNA P02545 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
SCHEMBL11453837 0.85 TSHR (0.39) CYP3A4MAPK1AHRTDP1CYP2A6
SCHEMBL348089 0.79 CYP3A4 (0.62) CYP3A4MAPK1AHRTDP1CYP2A6
SCHEMBL29368277 0.79 CYP3A4 (0.62) CYP3A4MAPK1AHRTDP1CYP2A6
SCHEMBL30354095 0.79 CYP3A4 (0.38) CYP3A4MAPK1AHRTDP1CYP2A6
SCHEMBL4357969 0.79 CYP3A4 (0.38) CYP3A4MAPK1AHRTDP1CYP2A6
SCHEMBL30435783 0.79 CYP3A4 (0.38) CYP3A4MAPK1AHRTDP1CYP2A6
Methane SCHEMBL23466796 0.75 CYP3A4 (0.59) CYP3A4MAPK1AHRTDP1CYP2A6
SCHEMBL16556080 0.75
SCHEMBL11681212 0.75 CYP3A4 (0.35) CYP3A4MAPK1AHRCYP2A6TSHR
SCHEMBL16555630 0.75 ALDH1A1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109337132-A A kind of free from extraneous odour NR material prescription and preparation method thereof 安徽龙川橡塑科技有限公司 2019-02-15 CN claimed
EP-3194414-A1 METHODS FOR THE PREPARATION OF DIASTEREOMERICALLY PURE PHOSPHORAMIDATE PRODRUGS MEDIVIR AB (SE) 2017-07-26 EP claimed
CN-106833406-A A kind of high refractive index nano inorganic matter hydridization photovoltaic encapsulation material 杭州福斯特光伏材料股份有限公司 2017-06-13 CN claimed
WO-2016041877-A1 METHODS FOR THE PREPARATION OF DIASTEREOMERICALLY PURE PHOSPHORAMIDATE PRODRUGS MEDIVIR AB (SE) 2016-03-24 WO claimed
US-8198378-B2 Aromatic organosulfur functionalized 1,4-cis polybutadiene KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2012-06-12 US claimed
US-20110136956-A1 1,4-CIS-POLYBUTADIENE FUNCTIONALIZED WITH ORGANOSULFUR COMPOUND FOR PREPARATION OF GOLF BALL CORE KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2011-06-09 US claimed
US-20090156751-A1 Aromatic Organosulfur Functionalized 1,4-cis Polybutadiene KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2009-06-18 US claimed
CN-1169661-C Process for directly producing active rubber powder with waste rubber 刘扬生 2004-10-06 CN claimed
CN-1392037-A Process for directly producing active rubber powder with waste rubber LIU YANGSHENG (CN) 2003-01-22 CN claimed
US-3939056-A Coated plating rack SONY CORPORATION (JA) 1976-02-17 US claimed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
CN-109337132-A A kind of free from extraneous odour NR material prescription and preparation method thereof 安徽龙川橡塑科技有限公司 2019-02-15 CN disclosed
US-10118941-B2 Methods for the preparation of diastereomerically pure phosphoramidate prodrugs MEDIVIR AB (SE) 2018-11-06 US disclosed
EP-2826826-B1 COMPOSITION FOR FORMING A COATING TYPE BPSG FILM, SUBSTRATE FORMED A FILM BY SAID COMPOSITION, AND PATTERNING PROCESS USING SAID COMPOSITION SHINETSU CHEMICAL CO (JP) 2018-08-01 EP disclosed
US-20170275322-A1 METHODS FOR THE PREPARATION OF DIASTEREOMERICALLY PURE PHOSPHORAMIDATE PRODRUGS MEDIVIR AB (SE) 2017-09-28 US disclosed
US-4172944-A Water insoluble styryl dyestuffs having hetero-aryl methylene substituent BAYER AKTIENGESELLSCHAFT (DE) 1979-10-30 US disclosed
US-4016191-A WATER INSOLUBLE; LIGHTFASTNESS BAYER AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed
US-3998866-A PESTICIDES, POST-EMERGENCE HERBICIDES AND POLYMER INTERMEDIATES EXXON RESEARCH AND ENGINEERING COMPANY (US) 1976-12-21 US disclosed
US-3966769-A Sulfonyl compounds CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-06-29 US disclosed
US-3939056-A Coated plating rack SONY CORPORATION (JA) 1976-02-17 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 (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-20170275322-A1 METHODS FOR THE PREPARATION OF DIASTEREOMERICALLY PURE PHOSPHORAMIDATE PRODRUGS PNP, PAICS, NUDT1 CYP3A4 328/4885MAPK1 2963/4885AHR 3402/4885
US-10118941-B2 Methods for the preparation of diastereomerically pure phosphoramidate prodrugs PNP, PAICS, NUDT1 CYP3A4 328/4885MAPK1 2963/4885AHR 3402/4885

“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.