SCHEMBL18655696

SCHEMBL18655696

C/C=C/c1sc2ccccc2[n+]1CCCCS(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ POLB P06746 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ INSR P06213 13/20 0.47
▸ MAPT P10636 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ MMP14 P50281 1/20 0.39

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
SCHEMBL6556048 0.81 HSD17B10 (0.58) ALDH1A1POLBMEN1HTTKMT2A
SCHEMBL16865132 0.78 MAPT (0.71) ALDH1A1POLBMEN1HTTKMT2A
SCHEMBL13052564 0.78 ALDH1A1 (0.42) ALDH1A1POLBMEN1HTTKMT2A
SCHEMBL14258999 0.77 MAPT (0.52) ALDH1A1POLBMEN1HTTKMT2A
SCHEMBL3191322 0.77 HSD17B10 (0.59) ALDH1A1POLBMEN1HTTKMT2A
SCHEMBL14747441 0.77 ALDH1A1 (0.40) ALDH1A1POLBMEN1HTTKMT2A
SCHEMBL16183130 0.76 POLB (0.49) ALDH1A1POLBMEN1HTTKMT2A
Water SCHEMBL1044054 0.76 HSD17B10 (0.58) ALDH1A1POLBMEN1HTTKMT2A
SCHEMBL13052549 0.74 ALDH1A1 (0.40) ALDH1A1POLBMEN1HTTKMT2A
SCHEMBL16800102 0.74 MAPT (0.63) ALDH1A1POLBMEN1HTTKMT2A

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-20170117477-A1 ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2017-04-27 — — US disclosed
US-20170084839-A1 ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2017-03-23 — — 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-20170084839-A1 ORGANIC SEMICONDUCTING COMPOUNDS PPOX, OSTC, OCIAD1 ALDH1A1 2904/4885POLB 2039/4885MEN1 3348/4885
US-20170117477-A1 ORGANIC SEMICONDUCTING COMPOUNDS OCIAD2, OCIAD1, OSTC ALDH1A1 3182/4885POLB 1126/4885MEN1 3508/4885

“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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