SCHEMBL30839735

SCHEMBL30839735

COc1cc(N)cc(-c2ccc(N)c(OC)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.69
▸ CYP3A4 P08684 4/20 0.69
▸ HSD17B10 Q99714 2/20 0.69
▸ TSHR P16473 1/20 0.69
▸ TDP1 Q9NUW8 1/20 0.69
▸ MEN1 O00255 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KIT P10721 1/20 0.47
▸ CHEK1 O14757 4/20 0.45
▸ HSD17B1 P14061 1/20 0.44
▸ HSD17B2 P37059 1/20 0.44
▸ CYP1A1 P04798 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2E1 P05181 1/20 0.44

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
SCHEMBL27185955 1.00 ALDH1A1 (0.69) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL30839732 1.00 ALDH1A1 (0.69) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL310577 0.83 ALDH1A1 (0.91) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL29764044 0.83 ALDH1A1 (0.91) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL29399235 0.83 ALDH1A1 (1.00) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL48945 0.83 ALDH1A1 (1.00) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL11042745 0.82 ALDH1A1 (0.74) ALDH1A1CYP3A4HSD17B10TSHRTDP1
Hydrochloric Acid SCHEMBL30913021 0.81 ALDH1A1 (0.95) ALDH1A1CYP3A4HSD17B10TSHRTDP1
Hydrochloric Acid SCHEMBL622811 0.81 ALDH1A1 (0.95) ALDH1A1CYP3A4HSD17B10TSHRTDP1
Methane SCHEMBL28975440 0.81 ALDH1A1 (0.95) 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 4 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-2024068129-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD. (GB) 2024-04-04 — — WO disclosed
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