SCHEMBL302969

SCHEMBL302969

C#CC([CH2])CCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
DNM1 Q05193 2/20 0.39
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
OPRM1 P35372 1/20 0.37
GPR84 Q9NQS5 2/20 0.35
FDPS P14324 2/20 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
SCHEMBL16289090 1.00 LMNA (0.39) LMNADNM1TSHRTHRBADH1B
SCHEMBL16443830 0.98
SCHEMBL957599 0.90
SCHEMBL16289615 0.79
SCHEMBL23856066 0.76 TSHR (0.40) LMNADNM1TSHRTHRBADH1B
SCHEMBL22207069 0.76 TSHR (0.40) LMNADNM1TSHRTHRBADH1B
SCHEMBL22207322 0.76 TSHR (0.40) LMNADNM1TSHRTHRBADH1B
SCHEMBL22207078 0.76 TSHR (0.40) LMNADNM1TSHRTHRBADH1B
SCHEMBL22207081 0.76 TSHR (0.40) LMNADNM1TSHRTHRBADH1B
SCHEMBL8602005 0.76 TSHR (0.40) LMNADNM1TSHRTHRBADH1B

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-100384792-C Method of deuterization WAKO PURE CHEM IND LTD (JP) 2008-04-30 CN disclosed
US-20070255076-A1 Method for Deuteration of an Aromatic Ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2007-11-01 US disclosed
CN-1296331-C Method for deuteration of aromatic ring WAKO PURE CHEM IND LTD (JP) 2007-01-24 CN disclosed
EP-1707548-A1 METHOD OF DEUTERATION USING MIXED CATALYST Wako Pure Chemical Industries, Ltd. (JP) 2006-10-04 EP disclosed
US-20060116535-A1 Method of deuteration WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-01 US disclosed
CN-1732135-A Method for deuteration WAKO PURE CHEM IND LTD (JP) 2006-02-08 CN disclosed
US-20060025596-A1 Method for deuteration or tritiation of heterocyclic ring FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2006-02-02 US disclosed
CN-1714060-A Method for deuteration or tritiation of heterocyclic ring WAKO PURE CHEM IND LTD (JP) 2005-12-28 CN disclosed
CN-1675145-A Method of deuterating aromatic ring WAKO PURE CHEM IND LTD (JP) 2005-09-28 CN disclosed
EP-1577280-A1 METHOD OF DEUTERIZATION Wako Pure Chemical Industries, Ltd. (JP) 2005-09-21 EP 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 (6 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 LMNA 3422/4885DNM1 1439/4885TSHR 1299/4885
US-20130066070-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A LMNA 2262/4885DNM1 2799/4885TSHR 2444/4885
US-20080234488-A1 Method of Deuteration Using Mixed Catalyst HDHD5, DHX35, HRH3 LMNA 4477/4885DNM1 162/4885TSHR 2222/4885
US-20070255076-A1 Method for Deuteration of an Aromatic Ring HRH3, HRH4, AHR LMNA 4659/4885DNM1 563/4885TSHR 2185/4885
US-20060116535-A1 Method of deuteration ARL1, IDH2, IDH3A LMNA 3700/4885DNM1 1158/4885TSHR 2516/4885
US-20100324314-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A LMNA 2434/4885DNM1 2919/4885TSHR 2452/4885

“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.