SCHEMBL3620320

SCHEMBL3620320

CCCCCCCCCCCCC(C)(C)[S]

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.47
GGPS1 O95749 6/20 0.41
FDPS P14324 9/20 0.39
SMPD1 P17405 2/20 0.38
CES2 O00748 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38

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
SCHEMBL3624292 1.00 TSHR (0.47) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL3625457 1.00 TSHR (0.47) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL3608806 1.00 TSHR (0.47) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL3622945 1.00 TSHR (0.47) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL3613687 1.00 TSHR (0.47) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL3624256 1.00 TSHR (0.47) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL564605 1.00 TSHR (0.47) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL3615959 1.00 TSHR (0.47) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL3618902 1.00 TSHR (0.47) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL316016 0.97

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 4 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

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 TSHR 2444/4885THRB 2198/4885GGPS1 353/4885
US-20100324314-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A TSHR 2452/4885THRB 2104/4885GGPS1 373/4885

“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.