SCHEMBL3753633

SCHEMBL3753633

O=C(C(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.64
CES1 P23141 5/20 0.64
APP P05067 1/20 0.57
FFAR1 O14842 4/20 0.55
FFAR4 Q5NUL3 1/20 0.52
GRM5 P41594 2/20 0.51
MMP2 P08253 2/20 0.50
MMP9 P14780 2/20 0.50
MMP12 P39900 2/20 0.50
MMP14 P50281 1/20 0.50
MMP15 P51511 1/20 0.50
MMP16 P51512 1/20 0.50
MMP26 Q9NRE1 1/20 0.50
VCP P55072 1/20 0.50
HNF4A P41235 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL6675223 0.98 CES2 (0.68) CES2CES1APPFFAR1FFAR4
SCHEMBL2336741 0.95 CES2 (0.71) CES2CES1APPFFAR1GRM5
SCHEMBL4190711 0.90 CES2 (0.58) CES2CES1APPFFAR1FFAR4
SCHEMBL4196818 0.90 CES2 (0.52) CES2CES1APPFFAR1FFAR4
SCHEMBL13567255 0.88 FFAR1 (0.56) CES2CES1FFAR1
SCHEMBL13567253 0.88 FFAR1 (0.56) CES2CES1FFAR1
SCHEMBL14584313 0.88 FFAR1 (0.56) CES2CES1FFAR1
SCHEMBL402518 0.86 RARB (0.62) CES2CES1APPFFAR1FFAR4
Hydrochloric Acid SCHEMBL2707922 0.84 RARB (0.60) CES2CES1APPFFAR1FFAR4
SCHEMBL1744898 0.84 ALDH1A1 (0.64) APPFFAR1FFAR4GRM5MMP2

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-113382987-B AIE compounds with fluorescent, photoacoustic and Raman properties 香港科技大学 2023-09-01 CN disclosed
US-7842830-B2 Transition-metal charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2010-11-30 US disclosed
US-7842830-B2 Transition-metal charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2010-11-30 US disclosed
US-7626059-B2 Multifunctional ethynyl substituted monomers and polyarylene compositions therefrom DOW GLOBAL TECHNOLOGIES INC. 2009-12-01 US disclosed
US-20090012193-A1 Multifunctional Ethynyl Substituted Monomers and Polyarylene Compositions Therefrom DOW GLOBAL TECHNOLOGIES LLC 2009-01-08 US disclosed
US-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof GEORGIA TECH RESEACH CORPORATION 2008-05-29 US disclosed
US-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof GEORGIA TECH RESEACH CORPORATION 2008-05-29 US disclosed
US-20070027280-A1 Multifunctional substituted monomers and polyarylene compositions therefrom HAHNFELD JERRY L 2007-02-01 US disclosed
US-20070027280-A1 Multifunctional substituted monomers and polyarylene compositions therefrom HAHNFELD JERRY L 2007-02-01 US disclosed
WO-2005123754-A2 TRANSITION-METAL CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2005-12-29 WO disclosed
EP-1170279-B1 Polyphenylene oligomers and polymers DOW GLOBAL TECHNOLOGIES INC (US) 2004-09-29 EP disclosed
EP-0889920-B1 POLYPHENYLENE OLIGOMERS AND POLYMERS DOW CHEMICAL CO (US) 2002-02-13 EP disclosed
EP-1170279-A1 Polyphenylene oligomers and polymers THE DOW CHEMICAL COMPANY (US) 2002-01-09 EP disclosed
US-6288188-B1 ACETYLENIC POLYMERS; INTEGRATED CIRCUITS, DIELECTRICS, MICROELECTRONICS THE DOW CHEMICAL COMPANY 2001-09-11 US disclosed
US-5965679-A BASED A BISCYCLOPENTADIENONE AND AN AROMATIC DIACETYLENE; CURING; LOW DIELECTRIC; INTEGRATED CIRCUITS; MICROELECTRONICS; PRINTED CIRCUITS THE DOW CHEMICAL COMPANY (US) 1999-10-12 US disclosed
EP-0889920-A1 POLYPHENYLENE OLIGOMERS AND POLYMERS THE DOW CHEMICAL COMPANY (US) 1999-01-13 EP disclosed
WO-1998011149-A1 POLYPHENYLENE OLIGOMERS AND POLYMERS THE DOW CHEMICAL COMPANY (US) 1998-03-19 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 (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-20090012193-A1 Multifunctional Ethynyl Substituted Monomers and Polyarylene Compositions Therefrom WEE2, WASF2, WEE1 CES2 178/4885CES1 1663/4885APP 3477/4885
US-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof SLC39A3, SLC6A6, SLC6A9 CES2 1387/4885CES1 4295/4885APP 2685/4885

“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.