SCHEMBL7276398

SCHEMBL7276398

COc1cccc(N)c1-c1c(N)cccc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
TDP1 Q9NUW8 2/20 0.65
ADRA2B P18089 1/20 0.65
PTGS1 P23219 1/20 0.65
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 2/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CA4 P22748 1/20 0.50
FGB P02675 1/20 0.50
THRB P10828 1/20 0.50
ADORA2A P29274 1/20 0.50

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
SCHEMBL30816756 1.00 ALDH1A1 (0.65) ALDH1A1TDP1ADRA2BPTGS1MAPT
SCHEMBL3789398 0.85 ALDH1A1 (0.59) ALDH1A1TDP1ADRA2BPTGS1MAPT
SCHEMBL3786465 0.85 ALDH1A1 (0.59) ALDH1A1TDP1ADRA2BPTGS1MAPT
SCHEMBL3785707 0.83 ALDH1A1 (0.52) ALDH1A1TDP1ADRA2BPTGS1MAPT
SCHEMBL397261 0.82 ALDH1A1 (0.61) ALDH1A1TDP1ADRA2BPTGS1MAPT
SCHEMBL28245636 0.82 ALDH1A1 (0.50) ALDH1A1TDP1ADRA2BPTGS1MAPT
SCHEMBL31607650 0.82 ALDH1A1 (0.50) ALDH1A1TDP1ADRA2BPTGS1MAPT
SCHEMBL27185986 0.82 ALDH1A1 (0.50) ALDH1A1TDP1ADRA2BPTGS1MAPT
SCHEMBL28148154 0.81 CA1 (0.65) ALDH1A1TDP1ADRA2BPTGS1MAPT
SCHEMBL10813504 0.80 ALDH1A1 (0.65) ALDH1A1TDP1ADRA2BPTGS1MAPT

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260015454-A1 HIGH PERFORMANCE, AMBIENT CURE POLYURETHANES COMPRISING POLYCAPROLACTONE POLYOLS INGEVITY UK LTD (GB) 2026-01-15 US claimed
EP-4594381-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE Ingevity UK Ltd (GB) 2025-08-06 EP claimed
US-20250243313-A1 POLYCAPROLACTONE POLYOLS, ELASTOMERS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-31 US claimed
US-20250230274-A1 POLYCAPROLACTONE POLYOLS, POLYURETHANE DISPERSIONS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-17 US 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
US-20240110002-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD (GB) 2024-04-04 US claimed
WO-2024068129-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD. (GB) 2024-04-04 WO claimed
CN-112812064-A Organic compound and method for producing the same 中国科学院广州生物医药与健康研究院 2021-05-18 CN claimed
US-20260015454-A1 HIGH PERFORMANCE, AMBIENT CURE POLYURETHANES COMPRISING POLYCAPROLACTONE POLYOLS INGEVITY UK LTD (GB) 2026-01-15 US disclosed
EP-4594381-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE Ingevity UK Ltd (GB) 2025-08-06 EP disclosed
US-20250243313-A1 POLYCAPROLACTONE POLYOLS, ELASTOMERS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-31 US 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
US-20250230274-A1 POLYCAPROLACTONE POLYOLS, POLYURETHANE DISPERSIONS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-17 US disclosed
WO-2024068129-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD. (GB) 2024-04-04 WO disclosed
EP-0582692-B1 DIPHOSPHINE LIGANDS HOFFMANN LA ROCHE (CH) 1998-04-22 EP disclosed
US-5514805-A ASSYMETRIC HYDROGENATION OF A PYRIDINECARBONYL COMPOUND, RHODIUM PHOSPHINE CATALYST HOFFMANN-LA ROCHE INC. (US) 1996-05-07 US disclosed
US-5508438-A Phosphorus compounds HOFFMANN-LA ROCHE INC. (US) 1996-04-16 US disclosed
EP-0582692-A1 DIPHOSPHINE LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 1994-02-16 EP disclosed
WO-1993015089-A1 DIPHOSPHINE LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 1993-08-05 WO disclosed
EP-0553778-A1 Asymmetric hydrogenation F. HOFFMANN-LA ROCHE AG (CH) 1993-08-04 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20260015454-A1 HIGH PERFORMANCE, AMBIENT CURE POLYURETHANES COMPRISING POLYCAPROLACTONE POLYOLS PUF60, MORF4L1, C9 ALDH1A1 538/4885TDP1 549/4885ADRA2B 4472/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.