SCHEMBL18763595

SCHEMBL18763595

C=CCCCOc1ccc(C(=O)O)c(-c2ccc(OC)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
PTPN11 Q06124 3/20 0.46
MCL1 Q07820 1/20 0.44
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43
FLT3 P36888 1/20 0.42
ALDH2 P05091 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MAP4K4 O95819 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
PRKAB2 O43741 2/20 0.40
PRKAG1 P54619 2/20 0.40
PRKAA2 P54646 2/20 0.40
PRKAA1 Q13131 2/20 0.40
PRKAG3 Q9UGI9 2/20 0.40
PRKAG2 Q9UGJ0 2/20 0.40
PRKAB1 Q9Y478 2/20 0.40

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
SCHEMBL11247571 0.94 SMN1; SMN2 (0.51) ALDH1A1L3MBTL1SMN1; SMN2PTPN11MCL1
SCHEMBL18763585 0.89 ALDH1A1 (0.53) ALDH1A1L3MBTL1PTPN11MCL1FFAR1
SCHEMBL29109658 0.89 ALDH1A1 (0.52) ALDH1A1L3MBTL1PTPN11MCL1FFAR1
SCHEMBL9446930 0.86 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2FLT3ALDH2MAOA
SCHEMBL18763587 0.85 ALDH1A1 (0.52) ALDH1A1L3MBTL1PTPN11FFAR1FFAR4
SCHEMBL8913753 0.84 ALDH1A1 (0.51) ALDH1A1L3MBTL1PTPN11MAP4K4PRKAB2
SCHEMBL18763591 0.84 ALDH1A1 (0.48) ALDH1A1L3MBTL1PTPN11ALDH2MAOA
SCHEMBL12096703 0.84 PTPN11 (0.47) ALDH1A1SMN1; SMN2PTPN11MCL1FFAR1
SCHEMBL29109659 0.81 PTPN11 (0.47) ALDH1A1L3MBTL1SMN1; SMN2PTPN11MCL1
SCHEMBL11517805 0.80 PTPN11 (0.65) ALDH1A1SMN1; SMN2PTPN11MCL1FFAR1

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 6 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