SCHEMBL9715780

SCHEMBL9715780

C=Cc1ccc(C(=C)CCCCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
HSD17B3 P37058 6/20 0.40
ALDH1A1 P00352 1/20 0.39
THRA P10827 6/20 0.39
THRB P10828 6/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.36
APP P05067 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL26185780 0.95 TAS1R3 (0.44) TAS1R3TAS1R1HSD17B3ALDH1A1THRA
Styrene SCHEMBL5287077 0.83 ALDH1A1 (0.47) ALDH1A1LMNACES2CES1TDP1
SCHEMBL6633874 0.83 THRA (0.48) ALDH1A1THRATHRBMEN1KMT2A
SCHEMBL2376145 0.81 PTGS2 (0.41) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL4902510 0.81 HSD17B3 (0.64) TAS1R3TAS1R1HSD17B3THRATHRB
Styrene SCHEMBL11565626 0.80 ALDH1A1 (0.44) ALDH1A1LMNACES2CES1TDP1
SCHEMBL19042193 0.79 L3MBTL1 (0.46) HSD17B3ALDH1A1THRATHRBKMT2A
SCHEMBL1318035 0.79 HSD17B3 (0.65) TAS1R3TAS1R1HSD17B3THRATHRB
SCHEMBL8060532 0.79 TAS1R3 (0.49) TAS1R3TAS1R1ALDH1A1TDP1
SCHEMBL28429904 0.79 THRA (0.46) ALDH1A1THRATHRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0311689-B1 PROCESS FOR SELECTIVELY MONOHYDROFORMYLATING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-06-10 EP claimed
EP-0304495-B1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-05-27 EP claimed
US-4982007-A CARBONYLATION CATALYST NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-01-01 US claimed
US-4908473-A Reacting a (1-arylethenyl)vinylbenzene with carbon monoxide and water or alcohol in the presence of carbonylation catalyst NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-03-13 US claimed
EP-0311689-A1 PROCESS FOR SELECTIVELY MONOHYDROFORMYLATING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-04-19 EP claimed
EP-0304495-A1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-03-01 EP claimed
JP-63233949-A None JP disclosed
JP-63233945-A None JP disclosed
EP-0311689-B1 PROCESS FOR SELECTIVELY MONOHYDROFORMYLATING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-06-10 EP disclosed
EP-0311689-B1 PROCESS FOR SELECTIVELY MONOHYDROFORMYLATING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-06-10 EP disclosed
EP-0304495-B1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-05-27 EP disclosed
EP-0304495-B1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-05-27 EP disclosed
US-4982007-A CARBONYLATION CATALYST NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-01-01 US disclosed
EP-0311689-A1 PROCESS FOR SELECTIVELY MONOHYDROFORMYLATING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-04-19 EP disclosed
EP-0304495-A1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-03-01 EP disclosed
EP-0304495-A1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-03-01 EP disclosed
JP-S63233945-A SELECTIVE HYDROFORMYLATION OF DIOLEFIN NIPPON PETROCHEM CO LTD 1988-09-29 JP disclosed
JP-S63233949-A SELECTIVE HYDROESTERICATION OF DIOLEFIN NIPPON PETROCHEM CO LTD 1988-09-29 JP disclosed
WO-1988007034-A1 PROCESS FOR SELECTIVELY HYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1988-09-22 WO disclosed
WO-1988007033-A1 PROCESS FOR SELECTIVELY HYDROFORMYLATING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1988-09-22 WO disclosed