SCHEMBL1134042

SCHEMBL1134042

CC(C)(c1cc(N=C=O)ccc1N=C=O)c1cc(N=C=O)ccc1N=C=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.55
▸ TRPA1 O75762 1/20 0.55
▸ TDP1 Q9NUW8 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.38
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL11878600 0.81 CYP3A4 (0.50) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL3104369 0.81 CYP3A4 (0.50) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL28949315 0.80 CYP3A4 (0.49) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL31425155 0.78 CYP3A4 (0.59) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL2585906 0.78 CYP3A4 (0.59) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL296391 0.76 CYP3A4 (0.67) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL29520218 0.76 CYP3A4 (0.67) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL2343457 0.75 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL6544263 0.75 CYP3A4 (0.52) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL29373346 0.75 CYP3A4 (0.71) CYP3A4TRPA1TDP1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4377369-A1 METHOD FOR PRODUCING A MIXTURE OF ALKOXYLATED POLYPHENOLS AND USE OF SAID MIXTURE SOPREMA (FR) 2024-06-05 — — EP claimed
WO-2023007103-A1 METHOD FOR PRODUCING A MIXTURE OF ALKOXYLATED POLYPHENOLS AND USE OF SAID MIXTURE SOPREMA (FR) 2023-02-02 — — WO claimed
EP-4393581-A2 BIODEGRADABLE POLYUREA/POLYURETHANE MICROCAPSULES Symrise AG (DE) 2024-07-03 — — EP disclosed
EP-4378575-A1 POLYUREA/POLYURETHANE MICROCAPSULES Symrise AG (DE) 2024-06-05 — — EP disclosed
EP-3969165-B1 BIODEGRADABLE POLYUREA/POLYURETHANE MICROCAPSULES SYMRISE AG (DE) 2024-05-15 — — EP disclosed
US-20240033703-A1 Method for Producing Microcapsules AG, SYMRISE (DE) 2024-02-01 — — US disclosed
US-20230313077-A1 Polyurea/Polyurethane Microcapsules SYMRISE AG (DE) 2023-10-05 — — US disclosed
US-20230313078-A1 Process for the Preparation of Microcapsules SYMRISE AG (DE) 2023-10-05 — — US disclosed
US-20230287308-A1 Biodegradable Polyurea/Polyurethane Microcapsules SYMRISE AG (DE) 2023-09-14 — — US disclosed
EP-4192614-A1 PROCESS FOR THE PREPARATION OF MICROCAPSULES Symrise AG (DE) 2023-06-14 — — EP disclosed
US-20230018872-A1 Encapsulated fragrance compounds based on natural amino acids SYMRISE AG (DE) 2023-01-19 — — US disclosed
EP-0312920-A2 Flexible flame resistant polyurethane foams BASF Corporation (US) 1989-04-26 — — EP disclosed
EP-0288240-A2 Heat-sensitive diazo recording material FUJI PHOTO FILM CO., LTD. (JP) 1988-10-26 — — EP disclosed
EP-0279276-A2 Adhesion enhancer for covered polyurethane panels BASF Corporation (US) 1988-08-24 — — EP disclosed
EP-0262953-A2 Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 1988-04-06 — — EP disclosed
EP-0152413-A4 THERMOSETTING COATING COMPOSITION USEFUL AS CHIP RESISTANT PRIMER. FORD MOTOR CO (GB) 1986-02-13 — — EP disclosed
US-4554252-A SUBSTITUTED AMIDE ESZAKMAGYARORSZAGI VEGYIMUVEK (HU) 1985-11-19 — — US disclosed
EP-0152413-A1 THERMOSETTING COATING COMPOSITION USEFUL AS CHIP RESISTANT PRIMER. FORD MOTOR CO (GB) 1985-08-28 — — EP disclosed
EP-0088193-B1 COATING COMPOSITION AND TETRAHYDROXY OLIGOMER PRECURSOR THEREFOR FORD MOTOR COMPANY LIMITED (GB) 1985-04-10 — — EP disclosed
WO-1985000375-A1 THERMOSETTING COATING COMPOSITION USEFUL AS CHIP RESISTANT PRIMER FORD MOTOR COMPANY (US) 1985-01-31 — — WO 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-20230018872-A1 Encapsulated fragrance compounds based on natural amino acids SMS, CUTA, SRM CYP3A4 3727/4885TRPA1 21/4885TDP1 4443/4885

“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.

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