SCHEMBL2234723

SCHEMBL2234723

CCCCCCCCC(P)(CC(C)C)CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
GGPS1 O95749 6/20 0.34
FDPS P14324 9/20 0.33
SMPD1 P17405 2/20 0.32
CES2 O00748 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32

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
SCHEMBL17529899 1.00 TSHR (0.36) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL17529654 1.00 TSHR (0.36) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL17529783 0.98 OPRM1 (0.32) TSHRTHRBGGPS1FDPS
SCHEMBL17529790 0.91
SCHEMBL9775282 0.81 TSHR (0.32) TSHRTHRBGGPS1FDPS
SCHEMBL9775277 0.80 OPRM1 (0.30)
SCHEMBL9534222 0.80 TSHR (0.50) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL9395940 0.80 TSHR (0.50) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL2869603 0.80 TSHR (0.50) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL1324011 0.80 TSHR (0.50) TSHRTHRBGGPS1FDPSSMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633336-B2 Method for separating a carboxylic acid in salified form bearing at least one halogen atom RHODIA OPERATIONS (FR) 2014-01-21 US disclosed
US-20110166385-A1 METHOD FOR SEPARATING A CARBOXYLIC ACID IN SALIFIED FORM BEARING AT LEAST ONE HALOGEN ATOM RHODIA OPERATIONS (FR) 2011-07-07 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-20110166385-A1 METHOD FOR SEPARATING A CARBOXYLIC ACID IN SALIFIED FORM BEARING AT LEAST ONE HALOGEN ATOM CA7, CA9, CA6 TSHR 3277/4885THRB 3162/4885GGPS1 1475/4885

“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.