SCHEMBL12336367

SCHEMBL12336367

CCCCCCCCCCCCCCCCC(C)(OC)OC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
GGPS1 O95749 6/20 0.38
SMPD1 P17405 5/20 0.38
FDPS P14324 9/20 0.37
CES2 O00748 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR3 Q9UBY5 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
SCHEMBL14778378 1.00 TSHR (0.42) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL3249837 1.00 TSHR (0.42) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL14778439 1.00 TSHR (0.42) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL14778077 1.00 TSHR (0.42) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL2573007 1.00 TSHR (0.42) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL4451444 0.97 TSHR (0.37) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL6160701 0.89 TSHR (0.36) TSHRTHRBFDPS
Hydrochloric Acid SCHEMBL9418676 0.84 HTT (0.56)
Methyl Nonyl Ketone SCHEMBL21328499 0.82 CES1 (0.42) TSHRCES2
SCHEMBL95578 0.79 TSHR (0.46) TSHRTHRBGGPS1SMPD1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237536-A1 Treating or Preventing Pain Using Spicamycin Derivatives VALMARC CORP. 2011-09-29 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 (1 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-20110237536-A1 Treating or Preventing Pain Using Spicamycin Derivatives OPRL1, GAP43, NTSR2 TSHR 4546/4885THRB 4377/4885GGPS1 270/4885

“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.