SCHEMBL3346483

SCHEMBL3346483

O=C(C#Cc1ccccc1)C#Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.59
APP P05067 1/20 0.55
VCP P55072 1/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
HSP90AA1 P07900 3/20 0.52
AGTR1 P30556 1/20 0.52
PAX8 Q06710 1/20 0.52
TLR9 Q9NR96 1/20 0.52
FFAR1 O14842 4/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
OPRK1 P41145 1/20 0.47
PAM P19021 1/20 0.47
FFAR4 Q5NUL3 1/20 0.45
POLB P06746 1/20 0.44
NLRP3 Q96P20 1/20 0.44
GFER P55789 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
SCHEMBL28586536 0.97 NPSR1 (0.57) NPSR1APPVCPNPC1RAB9A
SCHEMBL17957122 0.97 NPSR1 (0.57) NPSR1APPVCPNPC1RAB9A
SCHEMBL18530660 0.97 NPSR1 (0.57) NPSR1APPVCPNPC1RAB9A
SCHEMBL11081761 0.89 NPSR1 (0.55) NPSR1APPVCPNPC1RAB9A
SCHEMBL68968 0.84 NPSR1 (0.59) NPSR1APPVCPNPC1RAB9A
SCHEMBL8103677 0.84 NPSR1 (0.59) NPSR1APPVCPNPC1RAB9A
Benzene SCHEMBL28174766 0.84 NPSR1 (0.59) NPSR1APPVCPNPC1RAB9A
SCHEMBL6241543 0.84 MAOA (0.50) NPSR1APPVCPNPC1RAB9A
SCHEMBL7590817 0.84 NPSR1 (0.50) NPSR1APPVCPNPC1RAB9A
SCHEMBL6243540 0.84 FFAR1 (0.60) NPSR1NPC1RAB9AFFAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107949596-B Semi-crystalline polyamide component with high glass transition temperature for composite materials, method for the production thereof and use thereof 阿科玛法国公司 2021-02-02 CN claimed
CN-115197565-B Semi-crystalline polyamide composition based on short diamines with high glass transition temperature, process for its production and use thereof 阿科玛法国公司 2024-10-11 CN disclosed
EP-2943826-B1 LAYERS OR THREE-DIMENSIONAL SHAPED BODIES HAVING TWO REGIONS OF DIFFERENT PRIMARY AND/OR SECONDARY STRUCTURE, METHOD FOR PRODUCTION THEREOF AND MATERIALS FOR CONDUCTING THIS METHOD FRAUNHOFER GES FORSCHUNG (DE) 2023-08-02 EP disclosed
CN-115197565-A Semi-crystalline polyamide composition based on short diamines with high glass transition temperature, method for the production thereof and use thereof 阿科玛法国公司 2022-10-18 CN disclosed
CN-110446740-B Semi-crystalline polyamide compositions based on short diamines with high glass transition temperature, method for the production thereof and use thereof 阿科玛法国公司 2022-07-12 CN disclosed
CN-110431169-B Semi-crystalline polyamide composition having a high glass transition temperature and a high melting temperature, method for preparing same and use thereof 阿科玛法国公司 2022-05-17 CN disclosed
CN-107949596-B Semi-crystalline polyamide component with high glass transition temperature for composite materials, method for the production thereof and use thereof 阿科玛法国公司 2021-02-02 CN disclosed
CN-108026267-B Semi-crystalline polyamide composition with high glass transition temperature for thermoplastic materials, method for the production thereof and use thereof 阿科玛法国公司 2021-02-02 CN disclosed
EP-2943825-B1 LAYERS OR THREE-DIMENSIONAL SHAPED BODIES HAVING TWO REGIONS OF DIFFERENT PRIMARY AND/OR SECONDARY STRUCTURE AND METHOD FOR PRODUCTION THEREOF FRAUNHOFER GES FORSCHUNG (DE) 2018-12-12 EP disclosed
US-20180111889-A1 METHODS OF MAKING MULTICYCLIC COMPOUNDS USING MULTICOMPONENT/TANDEM REACTION SEQUENCES BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, (US) 2018-04-26 US disclosed
CN-101068810-A Carbostyril compound OTSUKA PHARMA CO LTD (JP) 2007-11-07 CN disclosed
CN-1902169-A 4-biaryl-1-phenylazetidin-2-ones MICROBIA INC (US) 2007-01-24 CN disclosed
CN-1826345-A Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands NEUROGEN CORP A CORP OF THE ST (US) 2006-08-30 CN disclosed
CN-1688545-A phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARM CORP (US) 2005-10-26 CN disclosed
CN-1432019-A Hygromycin derivatives for treatment of bacterial and protozoal infections PFIZER PROD INC (US) 2003-07-23 CN disclosed
US-4689321-A CYTOLYSIS, ANTITUMOR, ANTICARCINOGENIC THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1987-08-25 US disclosed
US-4431586-A Monocyclic telluropyrones EASTMAN KODAK COMPANY (US) 1984-02-14 US disclosed
US-4179561-A REACTING A 3-DIAZOOXINDOLE WITH A SUBSTITUTED ACETYLENE E. R. SQUIBB & SONS, INC. (US) 1979-12-18 US disclosed
US-4112096-A ANTIALLERGENS E. R. SQUIBB & SONS, INC. (US) 1978-09-05 US disclosed
US-4076818-A ANTIALLERGENS E. R. SQUIBB & SONS, INC. (US) 1978-02-28 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-20180111889-A1 METHODS OF MAKING MULTICYCLIC COMPOUNDS USING MULTICOMPONENT/TANDEM REACTION SEQUENCES TYMS, RTCB, POLRMT NPSR1 2585/4885APP 2739/4885VCP 2006/4885

“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.