SCHEMBL3735218

SCHEMBL3735218

O=Cc1cccc(C#Cc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.62
ALDH1A1 P00352 2/20 0.52
CYP2A6 P11509 1/20 0.52
APP P05067 1/20 0.50
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
UNG P13051 1/20 0.47
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PTPN11 Q06124 1/20 0.43
GRM5 P41594 2/20 0.42
HNF4A P41235 1/20 0.42
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
MAPT P10636 1/20 0.40
KCNH2 Q12809 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL29622470 1.00 FFAR1 (0.62) FFAR1ALDH1A1CYP2A6APPCA12
SCHEMBL10633500 0.94 FFAR1 (0.58) FFAR1ALDH1A1CYP2A6APPCA12
SCHEMBL9559955 0.84 FFAR1 (0.52) FFAR1ALDH1A1CYP2A6CA12CA1
SCHEMBL9191697 0.83 FFAR1 (0.51) FFAR1ALDH1A1CYP2A6UNGMAOA
SCHEMBL7054246 0.82 FFAR1 (0.54) FFAR1ALDH1A1CA12CA1CA2
SCHEMBL9699028 0.82 FFAR1 (0.49) FFAR1ALDH1A1CYP2A6CA12CA1
SCHEMBL27771764 0.81 APP (0.52) FFAR1APPCA12CA1CA2
SCHEMBL9195433 0.81 TDP1 (0.52) FFAR1ALDH1A1CYP2A6APPCA12
SCHEMBL1816905 0.80 ALDH1A1 (0.59) FFAR1ALDH1A1CYP2A6APPCA12
SCHEMBL14919859 0.80 FFAR1 (0.48) FFAR1ALDH1A1CYP2A6UNG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114437350-B Polyimide resin and preparation method and application thereof 波米科技有限公司 2022-09-16 CN claimed
CN-114437350-A Polyimide resin and preparation method and application thereof 波米科技有限公司 2022-05-06 CN claimed
CN-114315686-A Alkynyl-containing diamine, preparation method thereof and application thereof in preparation of photosensitive resin composition 波米科技有限公司 2022-04-12 CN claimed
CN-114437350-B Polyimide resin and preparation method and application thereof 波米科技有限公司 2022-09-16 CN disclosed
CN-114315686-B Alkynyl-containing diamine, preparation method thereof and application thereof in preparation of photosensitive resin composition 波米科技有限公司 2022-09-06 CN disclosed
CN-114751806-A Diaryl acetylene compound and preparation method thereof 上海泰坦科技股份有限公司 2022-07-15 CN disclosed
CN-114437350-A Polyimide resin and preparation method and application thereof 波米科技有限公司 2022-05-06 CN disclosed
CN-114315686-A Alkynyl-containing diamine, preparation method thereof and application thereof in preparation of photosensitive resin composition 波米科技有限公司 2022-04-12 CN disclosed
US-10934395-B2 Polybenzimidazole oligomers with reactive end groups PBI PERFORMANCE PRODUCTS, INC. (US) 2021-03-02 US disclosed
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 US disclosed
EP-2061449-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES Leo Pharma A/S (DK) 2009-05-27 EP disclosed
EP-0540673-A4 1994-04-27 EP disclosed
EP-0540673-A1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY. ABBOTT LAB (US) 1993-05-12 EP disclosed
US-5202349-A Lipoxygenase inhibitors, antiasthatics GRUENENTHAL GMBH (DE) 1993-04-13 US disclosed
US-5138028-A Composites, molding materials, adhesives, electronics NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1992-08-11 US disclosed
WO-1992001682-A1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1992-02-06 WO disclosed
EP-0468281-A1 Substituted phenylacetylenes, pharmaceuticals containing them and methods for the preparation of these compounds and pharmaceuticals Grünenthal GmbH (DE) 1992-01-29 EP disclosed
EP-0443352-A2 Polyimides end-capped with diaryl substituted acetylene National Starch and Chemical Investment Holding Corporation (US) 1991-08-28 EP disclosed
EP-0279921-A2 Phenylacetylene-substituted schiff's base momomers and electroconductive polymers National Starch and Chemical Investment Holding Corporation (US) 1988-08-31 EP disclosed
US-4730032-A MOLDING MATERIALS NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1988-03-08 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 (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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES C1R, C3AR1, PTH1R FFAR1 232/4885ALDH1A1 1976/4885CYP2A6 42/4885
US-10934395-B2 Polybenzimidazole oligomers with reactive end groups PBRM1, PHB2, PHB1 FFAR1 4041/4885ALDH1A1 3951/4885CYP2A6 4081/4885

“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.