SCHEMBL20112844

SCHEMBL20112844

CCCC(C)(C)CCCNc1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.39
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ LIMK1 P53667 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM6B O15054 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ CTSD P07339 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ LATS1 O95835 1/20 0.33
▸ LATS2 Q9NRM7 1/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ ACHE P22303 4/20 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
SCHEMBL18922336 0.90 F2 (0.41) F2LIMK1TRPA1MAPTCTSD
SCHEMBL19669165 0.82 F2 (0.40) F2MAPTALDH1A1CTSDACHE
SCHEMBL2128482 0.80 KDM6B (0.47) F2HDAC3HDAC1HDAC2LIMK1
SCHEMBL2352696 0.78 NAAA (0.50) F2HDAC3HDAC1HDAC2LIMK1
SCHEMBL20626527 0.77 F2 (0.39) F2LIMK1TRPA1MAPTCTSD
SCHEMBL25383583 0.77 NAAA (0.53) HDAC3HDAC1HDAC2MAPTALDH1A1
SCHEMBL11470387 0.77 NAAA (0.53) HDAC3HDAC1HDAC2MAPTALDH1A1
SCHEMBL11477556 0.77 NAAA (0.53) HDAC3HDAC1HDAC2MAPTALDH1A1
SCHEMBL2262258 0.77 NAAA (0.53) HDAC3HDAC1HDAC2MAPTALDH1A1
SCHEMBL11470551 0.77 NAAA (0.53) HDAC3HDAC1HDAC2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118754-A1 COMPOUNDS RESPIVERT LTD. (GB) 2018-05-03 — — 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 (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-20180118754-A1 COMPOUNDS LTC4S, CYP11B2, LTB4R2 F2 203/4885HDAC3 1354/4885HDAC1 1341/4885

“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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