SCHEMBL15955853

SCHEMBL15955853

CC(C)C(=O)O.CC1(Cc2ccccc2)OCC(CO)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
RIPK1 Q13546 1/20 0.33
POLB P06746 1/20 0.33
ALPI P09923 1/20 0.33
PKM P14618 1/20 0.33
PTGS1 P23219 1/20 0.33
XIAP P98170 1/20 0.33
SLC7A5 Q01650 1/20 0.33
PRKCA P17252 1/20 0.32
PRKCD Q05655 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 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
Acetic Acid SCHEMBL15956069 0.92 SIGMAR1 (0.44) TMEM97SIGMAR1MEN1KMT2ALMNA
3-Methylbutanoic Acid SCHEMBL15956110 0.89 TMEM97 (0.39) TMEM97SIGMAR1MEN1KMT2ALMNA
Propionic Acid SCHEMBL15955794 0.88 TMEM97 (0.41) TMEM97SIGMAR1MEN1KMT2ALMNA
Butyric Acid SCHEMBL15955929 0.85 MEN1 (0.40) TMEM97SIGMAR1MEN1KMT2ALMNA
Valeric Acid SCHEMBL15956332 0.83 TMEM97 (0.38) TMEM97SIGMAR1MEN1KMT2ALMNA
SCHEMBL15955851 0.82 TMEM97 (0.39) TMEM97SIGMAR1MEN1KMT2ALMNA
SCHEMBL15955750 0.78 CTDSP1 (0.32)
SCHEMBL15956068 0.78 ALDH1A1 (0.43) TMEM97SIGMAR1MEN1KMT2ALMNA
SCHEMBL15956109 0.77 MGLL (0.42) TMEM97SIGMAR1
SCHEMBL15218248 0.77 MEN1 (0.40) TMEM97SIGMAR1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10239116-B2 Solvent system and compositions therewith RHODIA POLIAMIDA E ESPECIALIDADES LTDA (BR) 2019-03-26 US disclosed
EP-2956513-B1 SOLVENT SYSTEM AND COMPOSITIONS THEREWITH RHODIA POLIAMIDA E ESPECIALIDADES LTDA (BR) 2017-09-27 EP disclosed
EP-2956513-A1 SOLVENT SYSTEM AND COMPOSITIONS THEREWITH Rhodia Poliamida E Especialidades Ltda (BR) 2015-12-23 EP disclosed
US-20150361281-A1 SOLVENT SYSTEM AND COMPOSITIONS THEREWITH RHODIA POLIAMIDA E ESPECIALIDADES LTDA (BR) 2015-12-17 US disclosed
WO-2014125357-A1 SOLVENT SYSTEM AND COMPOSITIONS THEREWITH RHODIA POLIAMIDA E ESPECIALIDADES LTDA (BR) 2014-08-21 WO 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-20150361281-A1 SOLVENT SYSTEM AND COMPOSITIONS THEREWITH DECR1, SQLE, DECR2 TMEM97 993/4885SIGMAR1 272/4885MEN1 1623/4885
US-10239116-B2 Solvent system and compositions therewith DECR1, SQLE, DECR2 TMEM97 993/4885SIGMAR1 272/4885MEN1 1623/4885

“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.