SCHEMBL2237873

SCHEMBL2237873

CCCCC(CC)COC(=O)c1cc2c(Br)c3sc(C(=O)OCC(CC)CCCC)cc3c(Br)c2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
CYP3A4 P08684 4/20 0.53
CA2 P00918 1/20 0.53
TSHR P16473 5/20 0.51
MAPK1 P28482 3/20 0.51
LMNA P02545 3/20 0.49
HSD17B10 Q99714 2/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
TDP1 Q9NUW8 3/20 0.46
ATM Q13315 2/20 0.46
RECQL P46063 1/20 0.40
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
GLA P06280 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
SCHEMBL21415646 0.95 ALDH1A1 (0.49) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL320723 0.89 ALDH1A1 (0.50) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL15463917 0.88 ALDH1A1 (0.49) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL17112416 0.82 ALDH1A1 (0.48) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL23424467 0.82 ALDH1A1 (0.48) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL13280839 0.81 PRSS1 (0.44) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL29224868 0.80 ALDH1A1 (0.67) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL28937591 0.80 ALDH1A1 (0.59) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL18321151 0.79 ALDH1A1 (0.52) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL322223 0.79 PRSS1 (0.41) ALDH1A1CYP3A4CA2TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536700-B1 SEMICONDUCTING POLYMERS MERCK PATENT GMBH (DE) 2019-10-02 EP disclosed
EP-2536700-B1 SEMICONDUCTING POLYMERS MERCK PATENT GMBH (DE) 2019-10-02 EP disclosed
US-10155774-B2 Semiconducting polymers MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2018-12-18 US disclosed
US-9365585-B2 Semiconducting polymers MERCK PATENT GMBH (DE) 2016-06-14 US disclosed
US-9365585-B2 Semiconducting polymers MERCK PATENT GMBH (DE) 2016-06-14 US disclosed
US-9365585-B2 Semiconducting polymers MERCK PATENT GMBH (DE) 2016-06-14 US disclosed
US-20150353575-A1 SEMICONDUCTING POLYMERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2015-12-10 US disclosed
US-20150353575-A1 SEMICONDUCTING POLYMERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2015-12-10 US disclosed
US-20150353575-A1 SEMICONDUCTING POLYMERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2015-12-10 US disclosed
EP-2631230-B1 Semiconducting Polymers MERCK PATENT GMBH (DE) 2015-01-21 EP disclosed
EP-2631230-B1 Semiconducting Polymers MERCK PATENT GMBH (DE) 2015-01-21 EP disclosed
EP-2631230-A1 Semiconducting Polymers Merck Patent GmbH (DE) 2013-08-28 EP disclosed
EP-2631230-A1 Semiconducting Polymers Merck Patent GmbH (DE) 2013-08-28 EP disclosed
EP-2536700-A2 SEMICONDUCTING POLYMERS Merck Patent GmbH (DE) 2012-12-26 EP disclosed
US-20120305853-A1 SEMICONDUCTING POLYMERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US disclosed
US-20120305853-A1 SEMICONDUCTING POLYMERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US disclosed
US-20120305853-A1 SEMICONDUCTING POLYMERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US disclosed
WO-2011098113-A2 SEMICONDUCTING POLYMERS MERCK PATENT GMBH (DE) 2011-08-18 WO disclosed
WO-2011098113-A2 SEMICONDUCTING POLYMERS MERCK PATENT GMBH (DE) 2011-08-18 WO 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 (3 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-10155774-B2 Semiconducting polymers PPOX, OCIAD2, OCIAD1 ALDH1A1 2581/4885CYP3A4 764/4885CA2 4745/4885
US-20120305853-A1 SEMICONDUCTING POLYMERS PPOX, OCIAD2, OCIAD1 ALDH1A1 2581/4885CYP3A4 764/4885CA2 4745/4885
US-20150353575-A1 SEMICONDUCTING POLYMERS PPOX, OCIAD2, OCIAD1 ALDH1A1 2581/4885CYP3A4 764/4885CA2 4745/4885

“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.