SCHEMBL2014151

SCHEMBL2014151

CC1(C)CN(c2ccccc2)C(CC(=O)O)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.36
DGAT1 O75907 1/20 0.35
ALDH1A1 P00352 5/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 3/20 0.35
MT-CO2 P00403 1/20 0.35
ALOX5 P09917 1/20 0.35
FFAR1 O14842 4/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 3/20 0.34
G6PD P11413 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL12805931 0.84 L3MBTL1 (0.37) SMN1; SMN2ALDH1A1MT-CO2ALOX5MAPT
SCHEMBL2012481 0.79 GAA (0.40) SMN1; SMN2ALDH1A1GAAMAPTATM
SCHEMBL2012033 0.74 MAPT (0.36) HTTDGAT1ALDH1A1MAPT
SCHEMBL2013923 0.70 LMNA (0.36) SMN1; SMN2ALDH1A1LMNAMAPTKDM4E
SCHEMBL2014597 0.68 KDM4E (0.40) ALDH1A1MAPTKDM4E
SCHEMBL2013019 0.64 TSHR (0.33)
SCHEMBL1966001 0.63 KDM4E (0.52) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2011850 0.62 NPC1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19GAA
SCHEMBL2012353 0.62 TSHR (0.37) HTTALDH1A1MAPTKDM4E
SCHEMBL25154451 0.62 FFAR1 (0.51) HTTFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513069-B1 ANTIFUNGAL COMPOUNDS UNIV LEUVEN KATH (BE) 2014-10-15 EP disclosed
EP-2513069-A1 ANTIFUNGAL COMPOUNDS Katholieke Universiteit Leuven (BE) 2012-10-24 EP disclosed
US-20120252801-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-10-04 US disclosed
WO-2011072345-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-06-23 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 (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-20120252801-A1 ANTIFUNGAL COMPOUNDS ERG28, DPM1, CYP51A1 HTT 3168/4885SMN1; SMN2 4701/4885DGAT1 2380/4885

“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.