SCHEMBL10204841

SCHEMBL10204841

COCCc1cccc(C)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.59
IDO1 P14902 2/20 0.52
ALDH1A1 P00352 1/20 0.51
CYP2D6 P10635 1/20 0.51
HRH3 Q9Y5N1 3/20 0.49
MAOB P27338 2/20 0.47
ALOX5 P09917 1/20 0.46
ACHE P22303 2/20 0.44
DAO P14920 2/20 0.44
ENPP2 Q13822 1/20 0.42
GPR84 Q9NQS5 1/20 0.41

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
SCHEMBL10378465 0.89 TAAR1 (0.52) TAAR1IDO1ALDH1A1CYP2D6HRH3
SCHEMBL14972583 0.89 TAAR1 (0.52) TAAR1IDO1ALDH1A1CYP2D6HRH3
SCHEMBL12136331 0.88 TAAR1 (0.55) TAAR1IDO1ALDH1A1CYP2D6HRH3
SCHEMBL7901300 0.87 ENPP2 (0.46) TAAR1ALDH1A1CYP2D6HRH3ENPP2
SCHEMBL7990214 0.86 TAAR1 (0.53) TAAR1IDO1ALDH1A1CYP2D6HRH3
SCHEMBL8000063 0.85 TAAR1 (0.52) TAAR1IDO1ALDH1A1CYP2D6HRH3
SCHEMBL7989614 0.85 TAAR1 (0.52) TAAR1IDO1ALDH1A1CYP2D6HRH3
SCHEMBL7998439 0.85 TAAR1 (0.52) TAAR1IDO1ALDH1A1CYP2D6HRH3
SCHEMBL15432887 0.82 TAAR1 (0.49) TAAR1IDO1ALDH1A1CYP2D6HRH3
SCHEMBL29596752 0.82 TAAR1 (0.74) TAAR1IDO1HRH3MAOBACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118724714-A Method for preparing 3-methoxyethyl-4-glycol monoformate vinyl toluene by palladium-catalyzed hydrocarbon activation 浙江九洲药业股份有限公司 2024-10-01 CN claimed
CN-118724714-A Method for preparing 3-methoxyethyl-4-glycol monoformate vinyl toluene by palladium-catalyzed hydrocarbon activation 浙江九洲药业股份有限公司 2024-10-01 CN disclosed
CN-118724714-A Method for preparing 3-methoxyethyl-4-glycol monoformate vinyl toluene by palladium-catalyzed hydrocarbon activation 浙江九洲药业股份有限公司 2024-10-01 CN disclosed
WO-2023107557-A1 COMPOUNDS AND COMPOSITIONS THAT INHIBIT PIKFYVE Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2022148422-A1 BRIDGED COMPOUNDS AS KRAS G12D INHIBITOR AND DEGRADER AND THE USE THEREOF BEIGENE, LTD. (KY) 2022-07-14 WO disclosed
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2020-04-09 US disclosed
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2017-02-02 US disclosed
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2017-02-02 US disclosed
EP-2104670-B3 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS ADDEX PHARMACEUTICALS SA (CH) 2016-09-21 EP disclosed
EP-2104670-B1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS ADDEX PHARMACEUTICALS SA (CH) 2016-02-17 EP disclosed
US-7608637-B2 Pharmaceutical composition for treatment of diseases associated with decrease in bone mass comprising EP4 agonist as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2009-10-27 US disclosed
US-20080312228-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2008-12-18 US disclosed
US-20080312228-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2008-12-18 US disclosed
US-7378423-B2 Antiproliferative, anticancer, antitumor agents; rheumatism; N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]-phenyl}-acetamide; a p15, and/or a protein inducing action, and/or an MEK inhibitory action; side effect reduction JAPAN TOBACCO INC. (JP) 2008-05-27 US disclosed
US-7378423-B2 Antiproliferative, anticancer, antitumor agents; rheumatism; N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]-phenyl}-acetamide; a p15, and/or a protein inducing action, and/or an MEK inhibitory action; side effect reduction JAPAN TOBACCO INC. (JP) 2008-05-27 US disclosed
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-31 US disclosed
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-31 US disclosed
EP-0146269-B1 HETERO-POLYCYCLIC AROMATIC COMPOUND IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-03 EP disclosed
US-4650882-A Dyes having two 5-membered lactone rings fused to a central cyclohexa-1.4-diene nucleus IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-03-17 US disclosed
EP-0146269-A2 Hetero-polycyclic aromatic compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-06-26 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 (4 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-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 TAAR1 2439/4885IDO1 953/4885ALDH1A1 1042/4885
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD TAAR1 2571/4885IDO1 270/4885ALDH1A1 709/4885
US-20080312228-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD TAAR1 2571/4885IDO1 270/4885ALDH1A1 709/4885
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD TAAR1 2571/4885IDO1 270/4885ALDH1A1 709/4885

“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.