SCHEMBL18930354

SCHEMBL18930354

C=C(Nc1ccc(C(C)C)cc1C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ CACNA1C Q13936 1/20 0.41
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ ACHE P22303 1/20 0.35
▸ NOX1 Q9Y5S8 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MYOC Q99972 1/20 0.34

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
SCHEMBL18932088 0.87 MEN1 (0.47) TRPA1PTGS1CACNA1CMAPTALDH1A1
SCHEMBL18596028 0.81 ALDH1A1 (0.44) TRPA1PTGS1CACNA1CMAPTALDH1A1
SCHEMBL25494287 0.81 TP53 (0.44) TRPA1PTGS1CACNA1CMAPTALDH1A1
SCHEMBL18930369 0.80 TRPA1 (0.43) TRPA1PTGS1CACNA1CMAPTALDH1A1
SCHEMBL18596100 0.78 NR1H4 (0.43) MAPTALDH1A1LMNAMAPK1HPGD
SCHEMBL25494282 0.75 POLB (0.64) TRPA1PTGS1CACNA1CMAPTALDH1A1
SCHEMBL25494271 0.75 MEN1 (0.45) TRPA1PTGS1CACNA1CMAPTALDH1A1
SCHEMBL12190515 0.75 ALDH1A1 (0.52) TRPA1PTGS1CACNA1CMAPTALDH1A1
SCHEMBL23720374 0.73 LMNA (0.39) TRPA1PTGS1CACNA1CMAPTALDH1A1
SCHEMBL9979294 0.72 MAPT (0.52) TRPA1PTGS1CACNA1CMAPTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230279426-A1 MODIFIED VIRAL COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. 2023-09-07 — — US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 — — US 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-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TRPA1 4273/4885PTGS1 1687/4885CACNA1C 4735/4885
US-20230279426-A1 MODIFIED VIRAL COMPOSITIONS FOR VIRAL TRANSDUCTION HAVCR2, ASGR1, FCGR3B TRPA1 2967/4885PTGS1 4636/4885CACNA1C 3480/4885

“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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