SCHEMBL5314931

SCHEMBL5314931

CCCCCC#Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.55
FFAR4 Q5NUL3 1/20 0.55
MMP2 P08253 1/20 0.54
MMP12 P39900 1/20 0.54
KCNH2 Q12809 1/20 0.53
NPSR1 Q6W5P4 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
THPO P40225 1/20 0.48
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
HTR2A P28223 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
APP P05067 1/20 0.44
CYSLTR2 Q9NS75 1/20 0.43

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
SCHEMBL9015870 0.98 FFAR1 (0.58) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL2350387 0.98 FFAR1 (0.58) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL4073903 0.98 FFAR1 (0.58) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL4071200 0.98 FFAR1 (0.58) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL7139040 0.98 FFAR1 (0.58) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL2027461 0.98 FFAR1 (0.58) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL614578 0.94 CYP1A2 (0.50) FFAR1FFAR4MMP2MMP12KCNH2
Hydrochloric Acid SCHEMBL31144511 0.92 BLM (0.52) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL5089564 0.90 NPSR1 (0.47) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL10437176 0.87 CYSLTR2 (0.47) FFAR1FFAR4MMP2MMP12KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085157-B A kind of synthetic method of 1,3- diacetylene class compound 河南师范大学 2018-06-19 CN claimed
US-9920160-B2 Method for synthesis of polymer containing multiple epoxy groups ZHEJIANG UNIVERSITY (CN) 2018-03-20 US claimed
US-20170044304-A1 Method for synthesis of polymer containing multiple epoxy groups UNIV ZHEJIANG (CN) 2017-02-16 US claimed
EP-0041476-B1 ARYL-PHENYL-ACETYLENE COMPOUNDS CIBA-GEIGY AG (CH) 1985-07-24 EP claimed
CN-108822869-B Chlorine-containing liquid crystal compound, composition thereof and high-frequency assembly comprising chlorine-containing liquid crystal compound 西安近代化学研究所 2022-10-25 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-20200122132-A1 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) 2020-04-23 US disclosed
CN-110330539-A A kind of Zitromax chlorins compound and preparation method and application 山东大学第二医院 2019-10-15 CN disclosed
CN-110041274-A A kind of method that the multicomponent one kettle way of air oxidation prepares 5- fluoroalkylation triazole compound 河南师范大学 2019-07-23 CN disclosed
CN-109012750-A A kind of cuprous oxide catalysis system and its preparation method and application suitable for water phase click reaction 河南师范大学 2018-12-18 CN disclosed
CN-108822869-A A kind of liquid-crystal compounds containing chlorine and combinations thereof and high frequency assembly comprising it 西安近代化学研究所 2018-11-16 CN disclosed
CN-105085157-B A kind of synthetic method of 1,3- diacetylene class compound 河南师范大学 2018-06-19 CN disclosed
US-20120129907-A1 HISTIDINOL DEHYDROGENASE INHIBITORS, AND USE THEREOF AS MEDICAMENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-05-24 US disclosed
WO-2007041166-A2 HIGHLY OXYGEN PERMEABLE RIGID CONTACT LENSES FROM POLYACETYLENES THE LAGADO CORPORATION (US) 2007-04-12 WO disclosed
EP-0748823-A1 Catalyst composition and process for the production of olefinic polymers NIPPON OIL CO. LTD. (JP) 1996-12-18 EP disclosed
EP-0041476-B1 ARYL-PHENYL-ACETYLENE COMPOUNDS CIBA-GEIGY AG (CH) 1985-07-24 EP disclosed
EP-0041476-B1 ARYL-PHENYL-ACETYLENE COMPOUNDS CIBA-GEIGY AG (CH) 1985-07-24 EP disclosed
US-4415474-A COORDINATION CATALYSTS OF A TRANSITION METAL COMPOUND AND A 1-PHENYL-2-/DIALKYL/ALUMINO-1-HEPTENE ACTIVATOR THE STANDARD OIL COMPANY (US) 1983-11-15 US disclosed
US-4412856-A POSTERMERGENCE HERBICIDES CIBA-GEIGY CORPORATION (US) 1983-11-01 US disclosed
EP-0041476-A2 Aryl-phenyl-acetylene compounds CIBA-GEIGY AG (CH) 1981-12-09 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 (3 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-20120129907-A1 HISTIDINOL DEHYDROGENASE INHIBITORS, AND USE THEREOF AS MEDICAMENTS MDH2, MDH1, G6PD FFAR1 3949/4885FFAR4 4723/4885MMP2 622/4885
US-20200122132-A1 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 FFAR1 523/4885FFAR4 3509/4885MMP2 4189/4885
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 FFAR1 523/4885FFAR4 3509/4885MMP2 4189/4885

“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.