SCHEMBL5607030

SCHEMBL5607030

N#Cc1ccc(C#Cc2ccc(C#N)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.58
CYP2A6 P11509 2/20 0.58
ALDH1A1 P00352 1/20 0.58
CA12 O43570 1/20 0.58
CA3 P07451 1/20 0.58
CA6 P23280 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
TSHR P16473 1/20 0.56
LOXL2 Q9Y4K0 2/20 0.50
MMP3 P08254 1/20 0.50
ENPP2 Q13822 1/20 0.50
APP P05067 2/20 0.47
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
CA1 P00915 2/20 0.46
HDAC8 Q9BY41 1/20 0.46
KIF11 P52732 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
SCHEMBL10300311 1.00 CA2 (0.58) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL31590251 0.91 CA2 (0.57) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL2503454 0.89 CA2 (0.69) CA2CYP2A6ALDH1A1CA12CA3
Water SCHEMBL28254092 0.89 CA2 (0.69) CA2CYP2A6ALDH1A1CA12CA3
Water SCHEMBL28189314 0.89 CA2 (0.69) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL45942 0.89 CA2 (0.69) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL1352731 0.88 TSHR (0.78) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL12669291 0.86 CYP2A6 (0.52) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL16104527 0.86 CYP2A6 (0.84) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL8621608 0.86 MAOB (0.64) CA2CYP2A6ALDH1A1CA12CA3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117843953-A Crystalline covalent triazine polymer material and preparation method and application thereof 中国科学院兰州化学物理研究所 2024-04-09 CN claimed
CN-106084217-B A kind of triazine radical porous polymer material, Ag/ triazine radical porous polymer catalyst and its application by carbon dioxide conversion for acetylenic acid 山西师范大学 2018-04-06 CN claimed
CN-106084217-A A kind of triazine radical porous polymer material, Ag/ triazine radical porous polymer catalyst and be the application of acetylenic acid by carbon dioxide conversion 山西师范大学 2016-11-09 CN claimed
CN-119346167-A Catalytic system and method for synthesizing diaryl acetylene from calcium carbide and iodo aromatic hydrocarbon 石河子大学 2025-01-24 CN disclosed
US-20240151993-A1 ELECTRON WITHDRAWING GROUP (EWG)-CONTAINING ORGANIC MOLECULES FOR IMPROVED OPTICAL PROPERTIES IN AR/VR COMPONENTS META PLATFORMS TECHNOLOGIES, LLC 2024-05-09 US disclosed
CN-117843953-A Crystalline covalent triazine polymer material and preparation method and application thereof 中国科学院兰州化学物理研究所 2024-04-09 CN disclosed
CN-109776796-A A kind of alkynyl functionalization covalent triazine polymer, preparation method and application 中国科学技术大学 2019-05-21 CN disclosed
CN-106084217-B A kind of triazine radical porous polymer material, Ag/ triazine radical porous polymer catalyst and its application by carbon dioxide conversion for acetylenic acid 山西师范大学 2018-04-06 CN disclosed
CN-106084217-A A kind of triazine radical porous polymer material, Ag/ triazine radical porous polymer catalyst and be the application of acetylenic acid by carbon dioxide conversion 山西师范大学 2016-11-09 CN disclosed
US-8993470-B2 Catalysts for the alkyne metathesis STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-03-31 US disclosed
US-20130144102-A1 CATALYSTS FOR THE ALKYNE METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2013-06-06 US disclosed
WO-2007128601-A2 METHOD FOR THE PREPARATION OF A COMPOUND OF THE GENERAL FORMULA R1-R1 AND/OR R1-R2 USING HOMO AND HETERO COUPLING REACTIONS LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2007-11-15 WO 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-20240151993-A1 ELECTRON WITHDRAWING GROUP (EWG)-CONTAINING ORGANIC MOLECULES FOR IMPROVED OPTICAL PROPERTIES IN AR/VR COMPONENTS AR, OR10J3, ESRRG CA2 1583/4885CYP2A6 1303/4885ALDH1A1 2350/4885
US-20130144102-A1 CATALYSTS FOR THE ALKYNE METATHESIS MSH6, AP3M1, PMS2 CA2 3294/4885CYP2A6 796/4885ALDH1A1 1300/4885

“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.