SCHEMBL18596028

SCHEMBL18596028

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ ALOX12 P18054 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TRPA1 O75762 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ CACNA1C Q13936 1/20 0.44
▸ MEN1 O00255 7/20 0.39
▸ KMT2A Q03164 7/20 0.39
▸ GAA P10253 4/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MYOC Q99972 1/20 0.39
▸ NOX1 Q9Y5S8 1/20 0.38
▸ HTT P42858 2/20 0.36
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL20707093 0.86 MEN1 (0.51) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL18930369 0.84 TRPA1 (0.43) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL12190515 0.82 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL18930354 0.81 TRPA1 (0.41) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL20707118 0.78 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL20440621 0.77 KMT2A (0.58) ALDH1A1SMN1; SMN2ALOX12MEN1KMT2A
SCHEMBL23720374 0.77 LMNA (0.39) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL9979294 0.76 MAPT (0.52) MAPTLMNAHPGDL3MBTL1TRPA1
SCHEMBL25494282 0.76 POLB (0.64) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL21023213 0.75 LMNA (0.48) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 — — US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 — — US disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 — — 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-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885SMN1; SMN2 4141/4885MAPT 2833/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885SMN1; SMN2 4141/4885MAPT 2833/4885

“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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