SCHEMBL3784935

SCHEMBL3784935

Cc1cc(-c2cccc(C)c2N)ccc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.59
TDP1 Q9NUW8 5/20 0.59
ALDH1A1 P00352 4/20 0.59
TSHR P16473 3/20 0.59
CD44 P16070 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39
TP53 P04637 3/20 0.39
MAPK1 P28482 1/20 0.39
TLR8 Q9NR97 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
HAVCR2 Q8TDQ0 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL30839740 1.00 CYP3A4 (0.59) CYP3A4TDP1ALDH1A1TSHRCD44
SCHEMBL31607636 1.00 CYP3A4 (0.59) CYP3A4TDP1ALDH1A1TSHRCD44
SCHEMBL3785261 0.85 CD44 (0.48) CYP3A4TDP1ALDH1A1TSHRCD44
SCHEMBL5888553 0.84 CYP3A4 (0.64) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL31147824 0.84 ALDH1A1 (0.70) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL28326908 0.84 ALDH1A1 (0.70) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL31378249 0.81 PTGS2 (0.46) CYP3A4TDP1ALDH1A1TSHRCD44
SCHEMBL3789626 0.81 CYP3A4 (0.59) CYP3A4TDP1ALDH1A1TSHRCD44
SCHEMBL3789866 0.80 ALDH1A1 (0.64) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2
Orthotolidine SCHEMBL29167864 0.79 ALDH1A1 (0.57) CYP3A4TDP1ALDH1A1TSHRCD44

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 16 patents. 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
WO-2024068129-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD. (GB) 2024-04-04 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
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
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-2025149744-A1 POLYCAPROLACTONE POLYOLS, POLYURETHANE DISPERSIONS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-17 WO disclosed
US-20240110002-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD (GB) 2024-04-04 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
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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 (2 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 CYP3A4 1622/4885TDP1 549/4885ALDH1A1 538/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CYP3A4 177/4885TDP1 4196/4885ALDH1A1 4339/4885

“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.