SCHEMBL18763586

SCHEMBL18763586

C=CCCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAPT P10636 3/20 0.52
MMP2 P08253 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
HIF1A Q16665 1/20 0.45
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.44
MMP3 P08254 2/20 0.43
KMT2A Q03164 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 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
SCHEMBL18777291 0.96 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPTMMP2CYP1A2
SCHEMBL8912462 0.96 ALDH1A1 (0.55) ALDH1A1L3MBTL1MAPTMMP2CYP1A2
SCHEMBL19460818 0.93 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPTMMP2CYP1A2
SCHEMBL13146702 0.90 L3MBTL1 (0.71) ALDH1A1L3MBTL1MAPTCYP1A2CYP2D6
SCHEMBL8914817 0.87 F2 (0.46) ALDH1A1L3MBTL1MAPTCYP1A2CYP2D6
SCHEMBL8915970 0.86 F2 (0.48) ALDH1A1L3MBTL1MAPTCYP1A2CYP2D6
SCHEMBL8572744 0.86 L3MBTL1 (0.65) ALDH1A1L3MBTL1MAPTCYP1A2CYP2D6
SCHEMBL25867841 0.86 L3MBTL1 (0.65) ALDH1A1L3MBTL1MAPTCYP1A2CYP2D6
SCHEMBL2364296 0.85 MAPT (0.49) ALDH1A1MAPTCYP1A2CYP2D6HIF1A
SCHEMBL2831629 0.85 MAPT (0.49) ALDH1A1MAPTCYP1A2CYP2D6HIF1A

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-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-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-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