SCHEMBL2296955

SCHEMBL2296955

CCCCCCCCCP(CC(C)C)CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.40
TSHR P16473 2/20 0.40
THRB P10828 1/20 0.40
TRPM8 Q7Z2W7 5/20 0.33
OPRM1 P35372 1/20 0.33
SPHK1 Q9NYA1 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL6428799 1.00 DNM1 (0.40) DNM1TSHRTHRBTRPM8OPRM1
SCHEMBL17529897 1.00 DNM1 (0.40) DNM1TSHRTHRBTRPM8OPRM1
SCHEMBL17529780 1.00 DNM1 (0.40) DNM1TSHRTHRBTRPM8OPRM1
SCHEMBL7182029 0.97 DNM1 (0.36) DNM1TSHRTHRBTRPM8OPRM1
SCHEMBL17529735 0.95 DNM1 (0.40) DNM1TSHRTHRBTRPM8OPRM1
SCHEMBL17529830 0.95 DNM1 (0.40) DNM1TSHRTHRBTRPM8OPRM1
SCHEMBL17529774 0.95 DNM1 (0.40) DNM1TSHRTHRBTRPM8OPRM1
SCHEMBL17529870 0.92 DNM1 (0.36) DNM1TSHRTHRBTRPM8OPRM1
SCHEMBL17529782 0.90 DNM1 (0.32) DNM1TSHRTHRBTRPM8OPRM1
SCHEMBL5599468 0.89

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 3 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 claimed
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 claimed
US-20130131375-A1 PROCESS FOR PREPARING DIFLUOROACETIC ACID, SALTS THEREOF OR ESTERS THEREOF RHODIA OPERATIONS (FR) 2013-05-23 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-20110166385-A1 METHOD FOR SEPARATING A CARBOXYLIC ACID IN SALIFIED FORM BEARING AT LEAST ONE HALOGEN ATOM CA7, CA9, CA6 DNM1 1253/4885TSHR 3277/4885THRB 3162/4885
US-20130131375-A1 PROCESS FOR PREPARING DIFLUOROACETIC ACID, SALTS THEREOF OR ESTERS THEREOF FAH, KRAS, RARA DNM1 673/4885TSHR 2274/4885THRB 2143/4885

“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.