SCHEMBL17014620

SCHEMBL17014620

CCCCN1C(=O)c2cc(-c3ccc(-c4ccc(-c5ccc(C)s5)s4)s3)sc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSF1 Q00613 2/20 0.39
▸ ALDH1A1 P00352 8/20 0.36
▸ MAPK1 P28482 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ USP2 O75604 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPT P10636 5/20 0.34
▸ NPSR1 Q6W5P4 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ RGS12 O14924 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TNFRSF1A P19438 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
SCHEMBL17014621 0.95 CDC25A (0.39) HSF1ALDH1A1ALDH2ALDH3A1
SCHEMBL13858494 0.93 MAPK1 (0.38) ALDH1A1MAPK1MEN1KMT2AUSP2
SCHEMBL15720645 0.86 TNFRSF1A (0.35) ALDH1A1MAPK1MEN1KMT2AUSP2
SCHEMBL13978139 0.85 TNFRSF1A (0.36) ALDH1A1MAPK1MEN1KMT2AUSP2
SCHEMBL15739393 0.84 MAPK1 (0.33) ALDH1A1MAPK1MEN1KMT2AUSP2
SCHEMBL15720278 0.84 DPP4 (0.39) ALDH1A1MAPK1MEN1KMT2AUSP2
SCHEMBL15739370 0.83 CDC25A (0.34) ALDH1A1L3MBTL1TDP1ALDH2ALDH3A1
SCHEMBL15739857 0.82 MEN1 (0.33) ALDH1A1MAPK1MEN1KMT2AUSP2
SCHEMBL15739410 0.81 CDC25A (0.38) ALDH1A1TNFRSF1AALDH2ALDH3A1
SCHEMBL17148357 0.81 CDC25A (0.38) ALDH1A1ALDH2ALDH3A1

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 HSF1 4359/4885ALDH1A1 3257/4885MAPK1 4294/4885

“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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