SCHEMBL1410158

SCHEMBL1410158

CCC(=Cc1ccc(-c2cccc(C(F)(F)F)c2F)o1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.41
TNFRSF1A P19438 3/20 0.41
PPARG P37231 1/20 0.41
NPFFR1 Q9GZQ6 2/20 0.40
NPFFR2 Q9Y5X5 2/20 0.40
ALDH1A1 P00352 7/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
CTSS P25774 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 4/20 0.37
LMNA P02545 3/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1410230 0.86 PDE7A (0.42) EPHX2TNFRSF1APPARGNPFFR1NPFFR2
SCHEMBL1410096 0.85 ALDH1A1 (0.40) EPHX2TNFRSF1APPARGNPFFR1NPFFR2
SCHEMBL1409350 0.79 MAPT (0.40) ALDH1A1HPGDMAPTHTTMEN1
SCHEMBL1410092 0.77 MAPT (0.40) EPHX2PPARGALDH1A1MAPTMEN1
SCHEMBL14300699 0.77 ALDH1A1 (0.57) TNFRSF1ANPFFR1NPFFR2ALDH1A1HPGD
SCHEMBL14300698 0.77 ALDH1A1 (0.57) TNFRSF1ANPFFR1NPFFR2ALDH1A1HPGD
SCHEMBL1410152 0.76 KDM4E (0.62) ALDH1A1HPGDMAPTHTTNPSR1
SCHEMBL1410157 0.76 ALDH1A1 (0.46) TNFRSF1AALDH1A1HPGDMAPTHTT
SCHEMBL1410156 0.76 TDP1 (0.40) TNFRSF1ANPFFR1NPFFR2ALDH1A1HPGD
SCHEMBL1410414 0.74 KDM4E (0.47) ALDH1A1HPGDMAPTMEN1KMT2A

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 EPHX2 254/4885TNFRSF1A 4817/4885PPARG 596/4885

“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.