SCHEMBL304423

SCHEMBL304423

SC1CCCCCCCCCCCCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.35
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
EPHX1 P07099 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL3617593 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL105254 1.00
SCHEMBL3619231 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL3627050 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL3620835 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL15373185 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL42570 1.00
SCHEMBL303089 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL103932 1.00
SCHEMBL3622611 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11401619-B2 Sacrificial coating and procedure for electroplating aluminum on aluminum alloys UNITED TECHNOLOGIES CORPORATION (US) 2022-08-02 US disclosed
US-9255070-B2 Method of deuteration using mixed catalyst WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-09 US disclosed
US-8669375-B2 Process for producing ester compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-11 US disclosed
US-20130066070-A1 PROCESS FOR PRODUCING ESTER COMPOUND WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-14 US disclosed
US-8318964-B2 Process for producing ester compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-8093422-B2 Method for deuteration of an aromatic ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
US-20100324314-A1 PROCESS FOR PRODUCING ESTER COMPOUND WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-23 US disclosed
US-7517990-B2 Method for deuteration of a heterocyclic ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-04-14 US disclosed
US-20080234488-A1 Method of Deuteration Using Mixed Catalyst WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-09-25 US disclosed
US-20070255076-A1 Method for Deuteration of an Aromatic Ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2007-11-01 US disclosed
EP-1707548-A1 METHOD OF DEUTERATION USING MIXED CATALYST Wako Pure Chemical Industries, Ltd. (JP) 2006-10-04 EP disclosed
US-20060025596-A1 Method for deuteration or tritiation of heterocyclic ring FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2006-02-02 US disclosed
EP-1561741-A1 METHOD FOR DEUTERATION OR TRITIATION OF HETEROCYCLIC RING Wako Pure Chemical Industries, Ltd. (JP) 2005-08-10 EP disclosed
EP-1535889-A1 METHOD OF DEUTERATING AROMATIC RING Wako Pure Chemical Industries, Ltd. (JP) 2005-06-01 EP 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 (5 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-20060025596-A1 Method for deuteration or tritiation of heterocyclic ring HRH2, HRH4, HDHD5 ALDH1A1 1829/4885HSD17B10 161/4885CES2 1195/4885
US-20130066070-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A ALDH1A1 261/4885HSD17B10 47/4885CES2 185/4885
US-20080234488-A1 Method of Deuteration Using Mixed Catalyst HDHD5, DHX35, HRH3 ALDH1A1 3168/4885HSD17B10 475/4885CES2 2391/4885
US-20070255076-A1 Method for Deuteration of an Aromatic Ring HRH3, HRH4, AHR ALDH1A1 2654/4885HSD17B10 349/4885CES2 2127/4885
US-20100324314-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A ALDH1A1 252/4885HSD17B10 32/4885CES2 121/4885

“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.