SCHEMBL30839739

SCHEMBL30839739

COc1ccc(-c2ccc(OC)cc2N)c(N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
MEN1 O00255 4/20 0.61
MAPT P10636 4/20 0.61
KMT2A Q03164 4/20 0.61
THRB P10828 2/20 0.61
TDP1 Q9NUW8 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 2/20 0.59
KDM4E B2RXH2 1/20 0.59
RECQL P46063 1/20 0.59
BLM P54132 1/20 0.59
MCL1 Q07820 1/20 0.59
CYP3A4 P08684 5/20 0.56
CYP1A2 P05177 3/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL30839715 1.00 ALDH1A1 (0.61) ALDH1A1MEN1MAPTKMT2ATHRB
SCHEMBL10340594 1.00 ALDH1A1 (0.61) ALDH1A1MEN1MAPTKMT2ATHRB
SCHEMBL6011927 0.91 TDP1 (0.54) ALDH1A1MEN1MAPTKMT2ATHRB
SCHEMBL3785422 0.89 SCN2A (0.54) ALDH1A1MEN1MAPTKMT2ATHRB
SCHEMBL3789462 0.83 ALDH1A1 (0.50) ALDH1A1MEN1MAPTKMT2ATHRB
SCHEMBL3794745 0.83 TDP1 (0.56) ALDH1A1MEN1MAPTKMT2ATHRB
SCHEMBL21840787 0.83 SCN2A (0.49) ALDH1A1MEN1MAPTKMT2ATHRB
SCHEMBL234263 0.82 ALDH1A1 (0.64) ALDH1A1MEN1MAPTKMT2ATHRB
SCHEMBL29387850 0.82 ALDH1A1 (0.64) ALDH1A1MEN1MAPTKMT2ATHRB
SCHEMBL227503 0.82 GSTP1 (0.62) ALDH1A1MEN1MAPTKMT2ATHRB

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
EP-4594381-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE Ingevity UK Ltd (GB) 2025-08-06 EP claimed
WO-2025149744-A1 POLYCAPROLACTONE POLYOLS, POLYURETHANE DISPERSIONS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-17 WO 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
CN-120092033-A Novel polyurethane or polyurethane-urea compositions with enhanced low temperature properties 英格维蒂英国有限公司 2025-06-03 CN disclosed
WO-2024068129-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD. (GB) 2024-04-04 WO disclosed