SCHEMBL2831992

SCHEMBL2831992

Cc1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.67
ALDH1A1 P00352 3/20 0.59
MAPT P10636 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
POLB P06746 1/20 0.59
KCNH2 Q12809 2/20 0.56
VCP P55072 1/20 0.55
GRM5 P41594 3/20 0.54
LMNA P02545 2/20 0.53
TSHR P16473 1/20 0.53
ALOX12 P18054 1/20 0.53
ACHE P22303 1/20 0.53
CA12 O43570 4/20 0.50
CA2 P00918 4/20 0.50
CA9 Q16790 4/20 0.50
CA1 P00915 3/20 0.50
FFAR1 O14842 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48

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
SCHEMBL15014207 1.00 APP (0.67) APPALDH1A1MAPTMEN1KMT2A
SCHEMBL10091202 1.00 APP (0.67) APPALDH1A1MAPTMEN1KMT2A
SCHEMBL9715641 0.97 APP (0.63) APPALDH1A1MAPTMEN1KMT2A
SCHEMBL15014219 0.93 CYP1A2 (0.58) APPALDH1A1MAPTMEN1KMT2A
SCHEMBL9445826 0.88 GRM5 (0.64) APPALDH1A1MAPTMEN1KMT2A
SCHEMBL4457730 0.88 GRM5 (0.64) APPALDH1A1MAPTMEN1KMT2A
SCHEMBL15014176 0.87 CYP1A1 (0.64) APPALDH1A1MAPTMEN1KMT2A
SCHEMBL9715647 0.85 GRM5 (0.61) APPALDH1A1MAPTMEN1KMT2A
SCHEMBL2114741 0.85 APP (0.92) APPALDH1A1MAPTMEN1KMT2A
SCHEMBL20886673 0.85 CA12 (0.53) APPALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005476-B Synthesis of 1-methyl-4- (phenylethynyl) benzene by palladium catalysis of tetrafluorothianthrene salt 内蒙古大学 2025-04-11 CN claimed
CN-118005476-A Synthesis of 1-methyl-4- (phenylethynyl) benzene by palladium catalysis of tetrafluorothianthrene salt 内蒙古大学 2024-05-10 CN claimed
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-117820365-A Thiophosphine (phosphate) and preparation method thereof 烟台新药创制山东省实验室 2024-04-05 CN claimed
EP-1310487-B1 PROCESSES FOR PREPARATION OF BICYCLIC COMPOUNDS AND INTERMEDIATES THEREFOR DAIICHI SEIYAKU CO (JP) 2007-01-03 EP claimed
EP-0044158-B1 NOVEL OPTICALLY ACTIVE IMIDAZOLIDIN-2-ONE DERIVATIVES AND THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-15 EP claimed
CN-116410126-B Ligand, ruthenium complex, preparation method thereof and application of ligand and ruthenium complex in catalyzing alkyne semi-hydrogenation reaction 河北师范大学 2025-05-09 CN disclosed
CN-118005476-B Synthesis of 1-methyl-4- (phenylethynyl) benzene by palladium catalysis of tetrafluorothianthrene salt 内蒙古大学 2025-04-11 CN disclosed
CN-118005476-B Synthesis of 1-methyl-4- (phenylethynyl) benzene by palladium catalysis of tetrafluorothianthrene salt 内蒙古大学 2025-04-11 CN disclosed
CN-118005476-B Synthesis of 1-methyl-4- (phenylethynyl) benzene by palladium catalysis of tetrafluorothianthrene salt 内蒙古大学 2025-04-11 CN disclosed
CN-113825735-B Carbon-carbon bond formation method 奥加诺株式会社 2025-01-07 CN disclosed
CN-118126054-A Coumarin derivative modified donor-acceptor type high polymer material and preparation method and application thereof 长安大学 2024-06-04 CN disclosed
CN-118005476-A Synthesis of 1-methyl-4- (phenylethynyl) benzene by palladium catalysis of tetrafluorothianthrene salt 内蒙古大学 2024-05-10 CN disclosed
EP-1654219-A2 HYDRAZIDE DERIVATIVES AS PROSTAGLANDIN RECEPTORS MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2006-05-10 EP disclosed
US-20050137402-A1 Process for preparing alkynyl-substituted aromatic and heterocyclic compounds DSM N.V. (NL) 2005-06-23 US disclosed
WO-2005012232-A2 HYDRAZIDE DERIVATIVES AS PROSTAGLANDIN RECEPTORS MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 WO disclosed
US-5043510-A Aqueous alkylation process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-08-27 US disclosed
US-4427595-A Catalyst composition to effect metathesis of acetylenes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1984-01-24 US disclosed
US-4158099-A FROM SCHIFF BASES AND BIPHENYL COMPOUND CIBA-GEIGY AG (CH) 1979-06-12 US disclosed
US-3991049-A Aromatic compounds containing ethylene double bonds, processes for their manufacture and use CIBA-GEIGY AG (CH) 1976-11-09 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-20050137402-A1 Process for preparing alkynyl-substituted aromatic and heterocyclic compounds NAT1, B3GNT2, NISCH APP 1495/4885ALDH1A1 2327/4885MAPT 2963/4885

“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.