SCHEMBL1410092

SCHEMBL1410092

CCC(=Cc1ccc(-c2ccc(F)c(C(F)(F)F)c2)o1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 6/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SIRT5 Q9NXA8 2/20 0.39
KMO O15229 2/20 0.38
EPHX2 P34913 2/20 0.37
THRB P10828 2/20 0.37
PPARG P37231 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1409530 0.86 PSEN1 (0.42) MAPTKDM4EALDH1A1TP53RXFP1
SCHEMBL1410414 0.81 KDM4E (0.47) MAPTKDM4EALDH1A1MEN1POLB
SCHEMBL1410152 0.81 KDM4E (0.62) MAPTKDM4EALDH1A1MEN1POLB
SCHEMBL1410593 0.80 TP53 (0.44) MAPTKDM4EALDH1A1MEN1POLB
SCHEMBL1410158 0.77 EPHX2 (0.41) MAPTKDM4EALDH1A1MEN1POLB
SCHEMBL14300679 0.77 ALDH1A1 (0.64) MAPTKDM4EALDH1A1MEN1POLB
SCHEMBL14300678 0.77 ALDH1A1 (0.64) MAPTKDM4EALDH1A1MEN1POLB
SCHEMBL1410090 0.76 ALDH1A1 (0.45) MAPTKDM4EALDH1A1MEN1POLB
SCHEMBL1410091 0.75 RPA1 (0.43) MAPTKDM4EALDH1A1MEN1POLB
SCHEMBL1410277 0.75 RXRA (0.47) MAPTKDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 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-20110251187-A1 HETEROCYCLIC COMPOUND NES, BMI1, DOT1L MAPT 3305/4885KDM4E 641/4885ALDH1A1 270/4885

“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.