SCHEMBL6231813

SCHEMBL6231813

CC(C)(C)Oc1ccc(OC(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
KIF11 P52732 1/20 0.41
ESRRA P11474 3/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 3/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
HTT P42858 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34

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
SCHEMBL1725843 0.88 ALDH1A1 (0.57) ALDH1A1GAACA1CA2MEN1
SCHEMBL3824427 0.82 KIF11 (0.43) ALDH1A1KIF11CA1CA2MEN1
SCHEMBL27122555 0.80 MAPK1 (0.42) ALDH1A1GAAKIF11MEN1KMT2A
SCHEMBL10595513 0.79 ALDH1A1 (0.59) ALDH1A1GAAESRRACA1CA2
SCHEMBL13141415 0.79 GPR3 (0.44) ALDH1A1GAAKIF11CA1CA2
SCHEMBL26417525 0.79 KIF11 (0.39) ALDH1A1GAAKIF11ESRRACA1
SCHEMBL14718409 0.79 ALOX15 (0.46) ALDH1A1GAACA1CA2KMT2A
SCHEMBL11954800 0.78 CA1 (0.43) ALDH1A1GAACA1CA2MEN1
SCHEMBL3668976 0.78 ALDH1A1 (0.41) ALDH1A1GAACA1CA2MEN1
SCHEMBL3789460 0.78 KIF11 (0.41) ALDH1A1KIF11ESRRAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124877-B1 UNSATURATED POLYESTER RESIN AND THE USE OF IT ASHLAND INC (US) 2005-04-20 EP claimed
US-6489406-B1 CURABLE POLYESTERETHER COPOLYMERS HAVING FLEXIBILITY AND WEAR RESISTANCE, USED AS SEALS FOR CONCRETES AND FLOORS ASHLAND INC. 2002-12-03 US claimed
EP-1124877-A1 UNSATURATED POLYESTER RESIN AND THE USE OF IT Neste Chemicals Oy (FI) 2001-08-22 EP claimed
WO-2000018820-A1 UNSATURATED POLYESTER RESIN AND THE USE OF IT NESTE CHEMICALS OY (FI) 2000-04-06 WO claimed
US-20240067777-A1 CURABLE COMPOUND PRODUCT DAICEL CORPORATION (JP) 2024-02-29 US disclosed
US-20240067777-A1 CURABLE COMPOUND PRODUCT DAICEL CORPORATION (JP) 2024-02-29 US disclosed
EP-1124877-B1 UNSATURATED POLYESTER RESIN AND THE USE OF IT ASHLAND INC (US) 2005-04-20 EP disclosed
US-6489406-B1 CURABLE POLYESTERETHER COPOLYMERS HAVING FLEXIBILITY AND WEAR RESISTANCE, USED AS SEALS FOR CONCRETES AND FLOORS ASHLAND INC. 2002-12-03 US disclosed
EP-1124877-A1 UNSATURATED POLYESTER RESIN AND THE USE OF IT Neste Chemicals Oy (FI) 2001-08-22 EP disclosed
WO-2000018820-A1 UNSATURATED POLYESTER RESIN AND THE USE OF IT NESTE CHEMICALS OY (FI) 2000-04-06 WO disclosed