SCHEMBL30839731

SCHEMBL30839731

COc1ccc(N)c(-c2ccc(N)c(OC)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
CYP3A4 P08684 4/20 0.67
HSD17B10 Q99714 2/20 0.66
TSHR P16473 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
CHEK1 O14757 1/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 1/20 0.52
RELA Q04206 4/20 0.51
DHFR P00374 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
CYP1A1 P04798 1/20 0.47
CYP2E1 P05181 1/20 0.47

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
SCHEMBL27185971 1.00 ALDH1A1 (0.67) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL6359564 0.85 CYP3A4 (0.56) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL29466231 0.82 ALDH1A1 (0.95) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL76745 0.82 ALDH1A1 (0.95) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL3010814 0.82 ALDH1A1 (0.71) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL3789140 0.81 TDP1 (0.56) ALDH1A1CYP3A4HSD17B10TSHRTDP1
Hydrochloric Acid SCHEMBL3009585 0.81 ALDH1A1 (0.70) ALDH1A1CYP3A4HSD17B10TSHRTDP1
Hydrochloric Acid SCHEMBL3296264 0.81 ALDH1A1 (1.00) ALDH1A1CYP3A4HSD17B10TSHRTDP1
Hydrochloric Acid SCHEMBL4381317 0.81 ALDH1A1 (1.00) ALDH1A1CYP3A4HSD17B10TSHRTDP1
Water SCHEMBL28213911 0.81 ALDH1A1 (0.91) ALDH1A1CYP3A4HSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4594381-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE Ingevity UK Ltd (GB) 2025-08-06 EP claimed
WO-2024068129-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD. (GB) 2024-04-04 WO claimed
EP-4594381-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE Ingevity UK Ltd (GB) 2025-08-06 EP disclosed
WO-2025149744-A1 POLYCAPROLACTONE POLYOLS, POLYURETHANE DISPERSIONS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-17 WO disclosed
WO-2024068129-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD. (GB) 2024-04-04 WO disclosed