SCHEMBL717468

SCHEMBL717468

Fc1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.67
MAPT P10636 2/20 0.56
FFAR1 O14842 6/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
GRM5 P41594 3/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP12 P39900 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL18867945 1.00 APP (0.67) APPMAPTFFAR1CA12CA1
SCHEMBL718949 0.88 GRM5 (0.50) APPMAPTFFAR1CA12CA1
SCHEMBL7717366 0.88 GRM5 (0.50) APPMAPTFFAR1CA12CA1
SCHEMBL10300106 0.88 GRM5 (0.50) APPMAPTFFAR1CA12CA1
Fluoride SCHEMBL31286313 0.85 GRM5 (0.48) APPMAPTFFAR1CA12CA1
Charcoal, Activated SCHEMBL31286307 0.85 GRM5 (0.48) APPMAPTFFAR1CA12CA1
SCHEMBL2114741 0.85 APP (0.92) APPMAPTFFAR1CA12CA1
SCHEMBL20886674 0.85 APP (0.48) APPMAPTFFAR1CA12CA1
SCHEMBL5872152 0.84 CYP1A2 (0.48) APPMAPTFFAR1CA12CA1
SCHEMBL16741768 0.83 NFE2L2 (0.44) APPMAPTFFAR1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117845235-A Preparation method of cis-stilbene compound 深圳市环保科技集团股份有限公司 2024-04-09 CN claimed
CN-109912809-A Base metal-metal organic framework composite material, preparation method and application 中国科学院福建物质结构研究所 2019-06-21 CN claimed
CN-104892377-B A kind of synthetic method of 1,2 derovatives 上海交通大学 2018-01-19 CN claimed
CN-106883188-A A kind of benzodiazepine compounds of 5 hydrogen 1,4 and its synthetic method 上海交通大学 2017-06-23 CN claimed
EP-2616077-B1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES UNIV LEUVEN KATH (BE) 2016-08-31 EP claimed
CN-104892377-A Synthesis method of 1, 2-dione derivatives UNIV SHANGHAI JIAOTONG 2015-09-09 CN claimed
EP-2405973-B1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS UNIV LEUVEN KATH (BE) 2015-04-22 EP claimed
JP-2164577-A None JP disclosed
CN-117845235-A Preparation method of cis-stilbene compound 深圳市环保科技集团股份有限公司 2024-04-09 CN disclosed
CN-109422620-B Method for highly selectively reducing alkyne into Z-type olefin 浙江工业大学 2021-08-24 CN disclosed
US-11033889-B2 Palladium acyclic diaminocarbene complexes as precatalysts for Hiyama coupling and the tandem one-pot fluoride free Hiyama coupling/cyclization for the synthesis of biologically relevant INDIAN INSTITUTE OF TECHNOLOGY BOMBAY (IN) 2021-06-15 US disclosed
US-11033889-B2 Palladium acyclic diaminocarbene complexes as precatalysts for Hiyama coupling and the tandem one-pot fluoride free Hiyama coupling/cyclization for the synthesis of biologically relevant INDIAN INSTITUTE OF TECHNOLOGY BOMBAY (IN) 2021-06-15 US disclosed
CN-109518211-B Electrochemical synthesis method of aromatic acyl-coupled compound 合肥工业大学 2020-11-06 CN disclosed
WO-2002008308-A1 COMPOSITIONS AND METHODS FOR THERMOSETTING MOLECULES IN ORGANIC COMPOSITIONS HONEYWELL INTERNATIONAL INC. (US) 2002-01-31 WO disclosed
EP-1068255-A2 POLY(ARYLENE ETHER) COMPOSITIONS AND METHODS OF MANUFACTURE THEREOF AlliedSignal Inc. (US) 2001-01-17 EP disclosed
WO-1999029761-A2 POLY(ARYLENE ETHER) COMPOSITIONS AND METHODS OF MANUFACTURE THEREOF ALLIEDSIGNAL INC. (US) 1999-06-17 WO disclosed
EP-0597701-B1 Conjugated enyne derivative and liquid crystal composition CHISSO CORP (JP) 1997-04-16 EP disclosed
US-5370819-A Low viscosity CHISSO CORPORATION (JP) 1994-12-06 US disclosed
EP-0597701-A1 Conjugated enyne derivative and liquid crystal composition CHISSO CORPORATION (JP) 1994-05-18 EP disclosed
JP-H02164577-A RECORDING MATERIAL FUJI PHOTO FILM CO LTD 1990-06-25 JP 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-11033889-B2 Palladium acyclic diaminocarbene complexes as precatalysts for Hiyama coupling and the tandem one-pot fluoride free Hiyama coupling/cyclization for the synthesis of biologically relevant PAICS, AOC1, FLI1 APP 3665/4885MAPT 4647/4885FFAR1 523/4885

“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.