SCHEMBL2433672

SCHEMBL2433672

CCOC(=O)C#Cc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.45
MAPT P10636 5/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 2/20 0.45
LMNA P02545 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GRM5 P41594 2/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FFAR1 O14842 1/20 0.42
CASP3 P42574 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HTR7 P34969 1/20 0.39
NPC1 O15118 2/20 0.38

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
SCHEMBL28747451 0.86 VCP (0.46) MAPTKMT2AMEN1CYP1A2CYP2C9
SCHEMBL9935172 0.84 CA12 (0.50) APPMAPTKMT2ALMNAKDM4E
SCHEMBL28668415 0.83 APP (0.43) APPMAPTKMT2AMEN1LMNA
SCHEMBL852379 0.83 L3MBTL1 (0.44) MAPTKMT2AKDM4ETDP1ALDH1A1
SCHEMBL2300644 0.83 ACACB (0.44) MAPTFFAR1ALDH1A1NPC1RAB9A
SCHEMBL853115 0.83 GRM5 (0.38) MAPTKMT2AMEN1CYP1A2LMNA
SCHEMBL788820 0.83 APP (0.49) APPGAAFFAR1ALDH1A1OPRM1
SCHEMBL11544791 0.83 ALDH1A1 (0.53) ALDH1A1NPC1
SCHEMBL11236951 0.83 LMNA (0.51) APPMAPTKMT2AMEN1CYP1A2
SCHEMBL7950 0.83 KMT2A (0.45) MAPTKMT2AMEN1CYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539254-A Preparation method of polycyclic condensed indole isoquinoline compound 内蒙古大学 2022-05-27 CN disclosed
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
EP-2632261-B1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS INC (US) 2016-07-13 EP disclosed
EP-2632261-B1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS INC (US) 2016-07-13 EP disclosed
US-9309260-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
US-9309260-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
US-9309260-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
US-9302998-B2 Aryl triazole compounds with antitumoural activity SIGMA-TAU RESEARCH SWITZERLAND S.A. (CH) 2016-04-05 US disclosed
US-20100160385-A1 FUNGICIDAL TRIPHENYL-SUBSTITUTED PYRIDONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-24 US disclosed
US-20100063068-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
EP-1226108-A4 DIARYL-ENYNES NPS ALLELIX CORP (CA) 2004-06-16 EP disclosed
US-6579987-B2 Reducing an ester containing ene-yne conjugated, silane and aryl or heteroaryl functionality to an alcohol; bromination, amination, desilanation, coupling and deprotecting NPS ALLELIX CORPORATION (CA) 2003-06-17 US disclosed
US-20030092769-A1 DIARYL-ENYNES NPS ALLELIX CORPORATION (CA) 2003-05-15 US disclosed
US-6525085-B2 Treating neurological and neuropsychiatric disorders NPS ALLELIX CORP. (CA) 2003-02-25 US disclosed
US-20020169197-A1 Diaryl-enynes NPS ALLELIX CORP. 2002-11-14 US disclosed
EP-1226108-A1 DIARYL-ENYNES NPS Allelix Corp. (CA) 2002-07-31 EP disclosed
US-6426364-B1 NERVOUS SYSTEM OR PSYCHOLOGICAL DISORDERS NPS ALLELIX CORP. (CA) 2002-07-30 US disclosed
WO-2001032602-A1 DIARYL-ENYNES NPS ALLELIX CORP. (CA) 2001-05-10 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 (4 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-20100063068-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 APP 4878/4885MAPT 4276/4885KMT2A 4722/4885
US-20020169197-A1 Diaryl-enynes CBR3, CNR1, NR3C2 APP 4065/4885MAPT 4189/4885KMT2A 3359/4885
US-20030092769-A1 DIARYL-ENYNES CBR3, CNR1, CBR1 APP 4068/4885MAPT 4186/4885KMT2A 3369/4885
US-20100160385-A1 FUNGICIDAL TRIPHENYL-SUBSTITUTED PYRIDONES PNPO, TH, CYP1A1 APP 4662/4885MAPT 3498/4885KMT2A 2898/4885

“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.