SCHEMBL8913753

SCHEMBL8913753

C=CCCCOc1ccc(C(=O)O)c(-c2ccc(-c3ccc(C#N)cc3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MMP2 P08253 6/20 0.50
MMP3 P08254 5/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PTGER4 P35408 1/20 0.41

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
SCHEMBL18763587 0.99 ALDH1A1 (0.52) ALDH1A1L3MBTL1MMP2MMP3HDAC1
SCHEMBL9194383 0.87 MMP2 (0.47) MMP2MMP3MMP1MMP9MMP13
SCHEMBL18763585 0.87 ALDH1A1 (0.53) ALDH1A1L3MBTL1HDAC1HDAC2RARA
SCHEMBL2364297 0.86 MMP2 (0.45) MMP2MMP3MMP1MMP9MMP13
SCHEMBL29109658 0.85 ALDH1A1 (0.52) ALDH1A1L3MBTL1HDAC1HDAC2RARA
SCHEMBL18763595 0.84 ALDH1A1 (0.52) ALDH1A1L3MBTL1PRKAB2PRKAG1PRKAA2
SCHEMBL8913562 0.83 MMP2 (0.51) ALDH1A1MMP2MMP3HDAC1HDAC2
SCHEMBL11682169 0.83 PTPN11 (0.59) ALDH1A1L3MBTL1MMP2RARARARB
SCHEMBL11684568 0.82 PTPN11 (0.61) ALDH1A1L3MBTL1RARARARBPTPN11
SCHEMBL11682474 0.82 PTPN11 (0.61) ALDH1A1L3MBTL1RARARARBPTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11391526-B2 Heat-transmitting modifier for elastomer, heat-transmission-modified crystalline elastomer, method for using crystalline polymer and precursor thereof, method for heat-transmission modification of elastomer, heater body, and heated body I.S.T CORPORATION (JP) 2022-07-19 US claimed
US-20200232728-A1 HEAT-TRANSMITTING MODIFIER FOR ELASTOMER, HEAT-TRANSMISSION-MODIFIED CRYSTALLINE ELASTOMER, METHOD FOR USING CRYSTALLINE POLYMER AND PRECURSOR THEREOF, METHOD FOR HEAT-TRANSMISSION MODIFICATION OF ELASTOMER, HEATER BODY, AND HEATED BODY IST CORP (JP) 2020-07-23 US claimed
US-20170115075-A1 HEAT-TRANSMITTING MODIFIER FOR ELASTOMER, HEAT-TRANSMISSION-MODIFIED CRYSTALLINE ELASTOMER, METHOD FOR USING CRYSTALLINE POLYMER AND PRECURSOR THEREOF, METHOD FOR HEAT-TRANSMISSION MODIFICATION OF ELASTOMER, HEATER BODY, AND HEATED BODY I.S.T CORPORATION (JP) 2017-04-27 US claimed
US-11391526-B2 Heat-transmitting modifier for elastomer, heat-transmission-modified crystalline elastomer, method for using crystalline polymer and precursor thereof, method for heat-transmission modification of elastomer, heater body, and heated body I.S.T CORPORATION (JP) 2022-07-19 US disclosed
US-20200232728-A1 HEAT-TRANSMITTING MODIFIER FOR ELASTOMER, HEAT-TRANSMISSION-MODIFIED CRYSTALLINE ELASTOMER, METHOD FOR USING CRYSTALLINE POLYMER AND PRECURSOR THEREOF, METHOD FOR HEAT-TRANSMISSION MODIFICATION OF ELASTOMER, HEATER BODY, AND HEATED BODY IST CORP (JP) 2020-07-23 US disclosed
US-20170115075-A1 HEAT-TRANSMITTING MODIFIER FOR ELASTOMER, HEAT-TRANSMISSION-MODIFIED CRYSTALLINE ELASTOMER, METHOD FOR USING CRYSTALLINE POLYMER AND PRECURSOR THEREOF, METHOD FOR HEAT-TRANSMISSION MODIFICATION OF ELASTOMER, HEATER BODY, AND HEATED BODY I.S.T CORPORATION (JP) 2017-04-27 US disclosed
US-RE35462-E Silylated benzoic acid derivatives CONSORTIUM FUR ELEKOCHEMISCHE IND. GMBH (DE) 1997-02-25 US disclosed
US-5277838-A Silylated benzoic acid derivatives CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1994-01-11 US disclosed
US-5106530-A Liquid crystals Consortium Fur Elektrochemische Ind. (DE) 1992-04-21 US disclosed