SCHEMBL7911029

SCHEMBL7911029

CC(C)(O)C#Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
MAPT P10636 2/20 0.61
NPC1 O15118 1/20 0.61
HTT P42858 1/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
OPRK1 P41145 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 2/20 0.44
ACHE P22303 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.43
HSD11B1 P28845 1/20 0.42

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
Bicarbonate SCHEMBL28551096 0.95 ALDH1A1 (0.60) ALDH1A1MAPTNPC1HTTRAB9A
SCHEMBL12207815 0.87 CASP3 (0.49) ALDH1A1MAPTNPC1HTTRAB9A
SCHEMBL11443601 0.83 ALDH1A1 (0.47) ALDH1A1MAPTNPC1HTTRAB9A
SCHEMBL11443209 0.81 ALDH1A1 (0.48) ALDH1A1MAPTNPC1HTTRAB9A
SCHEMBL12391039 0.80 ASIC3 (0.50) ALDH1A1MAPTNPC1HTTRAB9A
SCHEMBL845167 0.80 ALDH1A1 (0.54) ALDH1A1MAPTNPC1HTTRAB9A
SCHEMBL28551095 0.79 ALDH1A1 (0.46) ALDH1A1MAPTNPC1HTTRAB9A
SCHEMBL14664048 0.78 CASP3 (0.63) ALDH1A1MAPTCASP3SENP8SENP7
SCHEMBL28832082 0.78 CASP3 (0.47) ALDH1A1MAPTNPC1HTTRAB9A
SCHEMBL28924864 0.77 ALDH1A1 (0.47) ALDH1A1MAPTNPC1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119330839-A Method for preparing p-aminophenylacetylene 金泰旭化学技术(无锡)有限公司 2025-01-21 CN claimed
US-4204078-A REACTING NITROBROMOBENZENE WITH A HYDROXY-ACETYLENE COMPOUND; AMINE SOLVENT AND PALLADIUM COMPLEX CATALYST GULF RESEARCH & DEVELOPMENT COMPANY (US) 1980-05-20 US claimed
US-4128588-A PALLADIUM-PHOSPHINE COMPLEX CATALYST GULF RESEARCH & DEVELOPMENT COMPANY (US) 1978-12-05 US claimed
US-20250391519-A1 CHEMICAL SYNTHESIS PLATFORM UNIV GLASGOW COURT (GB) 2025-12-25 US disclosed
EP-4548355-A1 CHEMICAL SYNTHESIS PLATFORM The University Court Of The University Of Glasgow (GB) 2025-05-07 EP disclosed
CN-119330839-A Method for preparing p-aminophenylacetylene 金泰旭化学技术(无锡)有限公司 2025-01-21 CN disclosed
CN-119330839-A Method for preparing p-aminophenylacetylene 金泰旭化学技术(无锡)有限公司 2025-01-21 CN disclosed
WO-2024003151-A1 CHEMICAL SYNTHESIS PLATFORM THE UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2024-01-04 WO disclosed
WO-2023048034-A1 METHOD FOR PRODUCING AROMATIC COMPOUND HAVING ETHYNYL GROUP 東レ・ファインケミカル株式会社 2023-03-30 WO disclosed
WO-2023008401-A1 METHOD FOR PRODUCING AROMATIC COMPOUND HAVING ETHYNYL GROUP 東レ・ファインケミカル株式会社 2023-02-02 WO disclosed
US-6225499-B1 REACTING N-ARYLMETHYLIDENE AMINOARYLBROMIDE WITH TERMINAL ACETYLENE IN PRESENCE OF BASE AND CATALYST SYSTEM COMPRISING PALLADIUM CATALYST AND CUPROUS SALT TO PRODUCE N-ARYLMETHYLIDENE AMINOARYLACETYLENE CATALYTICA PHARMACEUTICALS, INC. 2001-05-01 US disclosed
US-6100429-A N-benzylidene aminophenylacetylene carbinols CATALYTICA PHARMACEUTICALS, INC. (US) 2000-08-08 US disclosed
EP-1019359-A2 PROCESS FOR PREPARING AMINOARYLACETYLENES Catalytica Pharmaceuticals, Inc. (US) 2000-07-19 EP disclosed
WO-1999003803-A2 PROCESS FOR PREPARING AMINOARYLACETYLENES CATALYTICA PHARMACEUTICALS, INC. (US) 1999-01-28 WO disclosed
US-4219679-A HIGH CONVERSION GULF RESEARCH & DEVELOPMENT COMPANY (US) 1980-08-26 US disclosed
US-4216341-A Selective hydrogenation of certain nitroaromatic hydroxy substituted acetylenes over a heterogeneous RuS2 catalyst GULF RESEARCH & DEVELOPMENT COMPANY (US) 1980-08-05 US disclosed
US-4139561-A RUTHENIUM HYDROGENATION CATALYST GULF RESEARCH & DEVELOPMENT COMPANY (US) 1979-02-13 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-20250391519-A1 CHEMICAL SYNTHESIS PLATFORM SET, CBS, COASY ALDH1A1 2847/4885MAPT 2536/4885NPC1 849/4885

“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.