SCHEMBL3462069

SCHEMBL3462069

Cc1cccc(N)c1-c1c(C)cccc1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.65
CYP3A4 P08684 5/20 0.60
TDP1 Q9NUW8 3/20 0.60
TSHR P16473 4/20 0.58
PIK3CA P42336 1/20 0.58
DPP4 P27487 1/20 0.50
ALDH1A1 P00352 5/20 0.46
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACHE P22303 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL30839716 1.00 CD44 (0.65) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL16497559 0.91 CD44 (0.62) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL25011940 0.84 CD44 (0.54) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL3793739 0.82 CYP3A4 (0.54) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL9678804 0.82 CYP3A4 (0.54) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL3794845 0.82 ALDH1A1 (0.55) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL20421691 0.82 CD44 (0.46) CD44CYP3A4TDP1TSHRPIK3CA
Hydrochloric Acid SCHEMBL9312867 0.80 CYP3A4 (0.58) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL3786474 0.80 CYP3A4 (0.56) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL3790040 0.80 CD44 (0.62) CD44CYP3A4TDP1TSHRPIK3CA

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 63 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
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-20250230274-A1 POLYCAPROLACTONE POLYOLS, POLYURETHANE DISPERSIONS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-17 US claimed
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 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-116107124-A Dye-enhanced three-color liquid crystal display device 西京学院 2023-05-12 CN claimed
JP-2006502081-A 2006-01-19 JP claimed
EP-1465611-A2 COMPOSITION, SYNTHESIS AND THERAPEUTIC APPLICATIONS OF POLYAMINES Murphy, Michael A. (US) 2004-10-13 EP claimed
WO-2003051348-A2 COMPOSITION, SYNTHESIS AND THERAPEUTIC APPLICATIONS OF POLYAMINES MURPHY MICHAEL A (US) 2003-06-26 WO 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-4578462-A Process for the manufacture of optically active compounds HOFFMANN-LA ROCHE INC. (US) 1986-03-25 US disclosed
US-4556740-A Phosphorus compounds HOFFMANN-LA ROCHE INC. (US) 1985-12-03 US disclosed
EP-0104376-A2 Process for the preparation of optically active amines and enamines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-04-04 EP disclosed
EP-0104375-A1 Phosphorus-containing biphenyl derivatives and their use in asymmetric hydrogenation and enatioselective hydrogen shifts F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-04-04 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 CD44 908/4885CYP3A4 1622/4885TDP1 549/4885

“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.