SCHEMBL9621026

SCHEMBL9621026

CC(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.48
TYR P14679 1/20 0.48
ESR1 P03372 1/20 0.48
PDCD1 Q15116 1/20 0.48
ESR2 Q92731 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
GRIA4 P48058 4/20 0.46
NR1H4 Q96RI1 2/20 0.43
TP53 P04637 1/20 0.42
KIF11 P52732 2/20 0.41
PDE2A O00408 1/20 0.40
ATM Q13315 1/20 0.40
GPR35 Q9HC97 1/20 0.40
ALDH1A1 P00352 2/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL4670006 0.91 TSHR (0.42) TSHRLMNATYRESR1PDCD1
SCHEMBL12721606 0.89 ESR1 (0.70) TSHRLMNATYRESR1PDCD1
SCHEMBL10034267 0.87 KIF11 (0.57) TSHRLMNATYRESR1PDCD1
SCHEMBL12711504 0.85 MAPT (0.51) TSHRLMNANR1H4ALDH1A1NPC1
SCHEMBL11849097 0.85 TSHR (0.46) TSHRLMNAGRIA4TP53ATM
SCHEMBL548066 0.83 TSHR (0.50) TSHRLMNATYRGRIA4NR1H4
SCHEMBL10804718 0.83 ALDH1A1 (0.42) TSHRLMNATYRESR1PDCD1
SCHEMBL10793732 0.82 NR1H4 (0.53) TSHRNR1H4ALDH1A1AKR1C3AKR1C2
SCHEMBL11843514 0.80 NQO1 (0.50) TSHRLMNANR1H4HPGD
SCHEMBL292572 0.80 TSHR (0.52) TSHRLMNATYRGRIA4NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026043525-A1 SUPPORTED TRANSITION‑METAL CATALYSTS FOR POLYOLEFIN HYDROGENOLYSIS AND METHODS FOR HYDROGENOLYSIS OF A POLYOLEFIN FEED NORTHWESTERN UNIVERSITY (US) 2026-02-26 WO disclosed
EP-0316014-B1 METHOD FOR PRODUCING ARYLETHYLENES NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-04-01 EP disclosed
EP-0290050-B1 METHOD FOR PRODUCING ALKYLSTYRENE NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-08-21 EP disclosed
US-5026939-A Cracking 1,2-di(4-isobutylphenyl)ethane in contact with acid catalyst NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-06-25 US disclosed
US-4855519-A Method for producing arylethylene NIPPON PETROCHEMICALS COMPANY (JP) 1989-08-08 US disclosed
EP-0316014-A2 Method for producing arylethylenes NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-05-17 EP disclosed
EP-0290050-A1 Method for producing alkylstyrene NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1988-11-09 EP disclosed