SCHEMBL379249

SCHEMBL379249

CCC(C)OC(=O)C(C(=O)O)C(C)(C)c1cc(F)ccc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
NR3C1 P04150 1/20 0.33
EPHX2 P34913 2/20 0.33
PPARG P37231 2/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PKM P14618 1/20 0.32
PYGL P06737 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL10089088 0.86 EPHX2 (0.38) MAPTSMN1; SMN2NR3C1EPHX2PPARG
SCHEMBL379248 0.79 EPHX2 (0.39) MAPTNR3C1EPHX2PPARGMEN1
SCHEMBL1508044 0.70 MAPT (0.36) MAPT
SCHEMBL334771 0.70 MAPT (0.40) MAPTTDP1CHRM3
SCHEMBL5643829 0.67 NR3C1 (0.44) NR3C1FFAR1FFAR4
SCHEMBL11274903 0.66 LDHA (0.44) MAPTEPHX2PPARGKMT2ATDP1
SCHEMBL16569848 0.66 PKM (0.38) MAPTEPHX2PPARGPKM
SCHEMBL14489252 0.66 NR3C1 (0.34) NR3C1CHRM3
SCHEMBL379397 0.65 NR3C1 (0.47) NR3C1FFAR1FFAR4CHRM3MEP1B
SCHEMBL5801445 0.65 NR3C1 (0.44) NR3C1MEP1B

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
EP-2280974-B1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM INT (DE) 2012-01-25 EP disclosed
US-20110275808-A1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 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-20110275808-A1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS ADH1A, ADH1C, ADH5 MAPT 3819/4885SMN1; SMN2 3302/4885NR3C1 132/4885

“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.