SCHEMBL3614545

SCHEMBL3614545

CCCCCCCCCCCCCCCC(C)S

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.47
SPHK1 Q9NYA1 1/20 0.46
LMNA P02545 1/20 0.46
DNM1 Q05193 2/20 0.46
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
ACE2 Q9BYF1 1/20 0.41
GPR84 Q9NQS5 3/20 0.41
FDPS P14324 3/20 0.41
FFAR1 O14842 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL867402 1.00 OPRM1 (0.50) OPRM1TSHRTHRBSPHK1LMNA
SCHEMBL3614682 1.00 OPRM1 (0.50) OPRM1TSHRTHRBSPHK1LMNA
SCHEMBL297142 1.00
SCHEMBL3625248 1.00 OPRM1 (0.50) OPRM1TSHRTHRBSPHK1LMNA
SCHEMBL9661383 1.00 OPRM1 (0.50) OPRM1TSHRTHRBSPHK1LMNA
SCHEMBL3614477 1.00 OPRM1 (0.50) OPRM1TSHRTHRBSPHK1LMNA
SCHEMBL9662888 1.00 OPRM1 (0.50) OPRM1TSHRTHRBSPHK1LMNA
SCHEMBL276707 1.00 OPRM1 (0.50) OPRM1TSHRTHRBSPHK1LMNA
SCHEMBL20952371 1.00 OPRM1 (0.50) OPRM1TSHRTHRBSPHK1LMNA
SCHEMBL1906744 1.00 OPRM1 (0.50) OPRM1TSHRTHRBSPHK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100324314-A1 PROCESS FOR PRODUCING ESTER COMPOUND WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-23 US disclosed
US-5112937-A Antideposit agents, crystal growth modification, domestic fuels INSTITUT FRANCAIS DU PETROLE (FR) 1992-05-12 US disclosed
US-5037945-A Polymers derived from unsaturated polyesters by addition of compounds with a thiol function and their use as additives modifying the properties of petroleum middle distillates when cold INSTITUT FRANCAIS DU PETROLE (FR) 1991-08-06 US disclosed
US-4439314-A DODECYLMERCAPTAN, SODIUM ISOPROPYLXANTHATE, AND A POLYALKYLENE GLYCOL PHILLIPS PETROLEUM COMPANY (US) 1984-03-27 US disclosed
EP-0038076-A1 Method for removing iron impurities from glass-making sand PHILLIPS PETROLEUM COMPANY (US) 1981-10-21 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 (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-20130066070-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A OPRM1 4381/4885TSHR 2444/4885THRB 2198/4885
US-20100324314-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A OPRM1 4280/4885TSHR 2452/4885THRB 2104/4885

“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.