SCHEMBL17014621

SCHEMBL17014621

CCCCCCN1C(=O)c2cc(-c3ccc(-c4ccc(-c5ccc(C)s5)s4)s3)sc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 10/20 0.39
▸ CES1 P23141 2/20 0.39
▸ PTGS1 P23219 3/20 0.37
▸ PTGS2 P35354 3/20 0.37
▸ MGLL Q99685 2/20 0.37
▸ FAAH O00519 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ ALDH2 P05091 1/20 0.36
▸ ALDH3A1 P30838 1/20 0.36
▸ HSF1 Q00613 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 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
SCHEMBL17014620 0.95 HSF1 (0.39) ALDH1A1ALDH2ALDH3A1HSF1
SCHEMBL13858494 0.88 MAPK1 (0.38) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL15739410 0.87 CDC25A (0.38) CDC25ACES1PTGS1PTGS2MGLL
SCHEMBL17148357 0.87 CDC25A (0.38) CDC25ACES1PTGS1PTGS2MGLL
SCHEMBL15720775 0.85 CDC25A (0.39) CDC25ACES1PTGS1PTGS2MGLL
SCHEMBL15739853 0.85 CDC25A (0.39) CDC25ACES1PTGS1PTGS2MGLL
SCHEMBL17148358 0.84 CDC25A (0.38) CDC25ACES1PTGS1PTGS2MGLL
SCHEMBL15739370 0.83 CDC25A (0.34) CDC25ACES1PTGS1PTGS2MGLL
SCHEMBL20434454 0.82 PTGS1 (0.45) CDC25ACES1PTGS1PTGS2MGLL
SCHEMBL20434466 0.82 PTGS1 (0.45) CDC25ACES1PTGS1PTGS2MGLL

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-9502665-B2 Organic semiconductor material E.T.C. S.R.L. (IT) 2016-11-22 — — US disclosed
US-20150236270-A1 ORGANIC SEMICONDUCTOR MATERIAL USINVEST LLC 2015-08-20 — — 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-20150236270-A1 ORGANIC SEMICONDUCTOR MATERIAL OR10J3, TST, AS3MT CDC25A 1100/4885CES1 4514/4885PTGS1 3622/4885

“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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