SCHEMBL4444737

SCHEMBL4444737

O=C(c1ccccc1)c1ccccc1C#Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.66
RAB9A P51151 1/20 0.66
AKR1C3 P42330 1/20 0.52
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
FFAR1 O14842 2/20 0.47
ALDH1A1 P00352 5/20 0.46
CAPN1 P07384 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
APP P05067 1/20 0.44
CA12 O43570 1/20 0.43

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
SCHEMBL29855934 1.00 NPC1 (0.66) NPC1RAB9AAKR1C3MAPTGAA
SCHEMBL13703668 0.89 AKR1C3 (0.58) NPC1RAB9AAKR1C3MAPTFFAR1
SCHEMBL4300998 0.89 NPC1 (0.57) NPC1RAB9AAKR1C3MAPTGAA
SCHEMBL16796021 0.89 NPC1 (0.53) NPC1RAB9AAKR1C3MAPTGAA
SCHEMBL17224539 0.89 KMT2A (0.53) NPC1RAB9AAKR1C3MAPTGAA
SCHEMBL16796015 0.85 CA12 (0.51) NPC1RAB9AAKR1C3MAPTGAA
SCHEMBL2256468 0.82 NPC1 (0.72) NPC1RAB9AMAPTFFAR1ALDH1A1
SCHEMBL29479413 0.82 NPC1 (0.72) NPC1RAB9AMAPTFFAR1ALDH1A1
SCHEMBL16796019 0.82 AKR1C3 (0.48) NPC1RAB9AAKR1C3MAPTGAA
SCHEMBL4308501 0.80 NPC1 (0.44) NPC1RAB9AAKR1C3GAAFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265198-B2 Sulfonated polyarylenethioethersulfone polymer and copolymer compositions UNIVERSITY OF DAYTON (US) 2007-09-04 US claimed
EP-1699849-A1 SULFONATED POLYARYLENETHIOETHERSULFONE POLYMER AND COPOLYMER COMPOSITIONS UNIVERSITY OF DAYTON (US) 2006-09-13 EP claimed
US-20050165213-A1 Sulfonated polyarylenethioethersulfone polymer compositions UNIVERSITY OF DAYTON 2005-07-28 US claimed
WO-2005059007-A1 SULFONATED POLYARYLENETHIOETHERSULFONE POLYMER AND COPOLYMER COMPOSITIONS UNIVERSITY OF DAYTON (US) 2005-06-30 WO claimed
US-11840607-B1 Cross-linkable thermoplastics, and processes of making and using same UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2023-12-12 US disclosed
CN-110467524-B Method for preparing 1, 2-dicarbonyl compound through photocatalytic oxidation reaction 中国科学院理化技术研究所 2022-08-30 CN disclosed
CN-111333680-B Phosphine ligand and preparation method and application thereof 万华化学集团股份有限公司 2022-08-05 CN disclosed
CN-111333680-A Phosphine ligand and preparation method and application thereof 万华化学集团股份有限公司 2020-06-26 CN disclosed
US-7582722-B1 Phenylethynylbenzophenone-endcapped hyperbranched poly(arylene-ether-ketone-imides) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2009-09-01 US disclosed
US-7265198-B2 Sulfonated polyarylenethioethersulfone polymer and copolymer compositions UNIVERSITY OF DAYTON (US) 2007-09-04 US disclosed
EP-1699849-A1 SULFONATED POLYARYLENETHIOETHERSULFONE POLYMER AND COPOLYMER COMPOSITIONS UNIVERSITY OF DAYTON (US) 2006-09-13 EP disclosed
US-20050165213-A1 Sulfonated polyarylenethioethersulfone polymer compositions UNIVERSITY OF DAYTON 2005-07-28 US disclosed
WO-2005059007-A1 SULFONATED POLYARYLENETHIOETHERSULFONE POLYMER AND COPOLYMER COMPOSITIONS UNIVERSITY OF DAYTON (US) 2005-06-30 WO disclosed
EP-0842212-A4 IMIDE OLIGOMERS AND CO-OLIGOMERS CONTAINING PENDENT PHENYLETHYNYL GROUPS AND POLYMERS THEREFROM NASA (US) 1998-10-14 EP disclosed
EP-0842212-A1 IMIDE OLIGOMERS AND CO-OLIGOMERS CONTAINING PENDENT PHENYLETHYNYL GROUPS AND POLYMERS THEREFROM NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1998-05-20 EP disclosed
WO-1997006200-A1 IMIDE OLIGOMERS AND CO-OLIGOMERS CONTAINING PENDENT PHENYLETHYNYL GROUPS AND POLYMERS THEREFROM NATIONAL AERONAUTICS & SPACE ADMINISTRATION (US) 1997-02-20 WO disclosed
US-5599993-A USED FOR ENDCAPPING POLYIMIDES WITH EXCELLENT SOLVENT AND CHEMICAL RESISTANCE, HIGH STRENGTH AND MODULUS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1997-02-04 US disclosed
US-5412066-A Adhesives THER UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1995-05-02 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-11840607-B1 Cross-linkable thermoplastics, and processes of making and using same MTCL3, DUOX2, DUOX1 NPC1 4852/4885RAB9A 3851/4885AKR1C3 2717/4885

“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.