SCHEMBL1410157

SCHEMBL1410157

CC/C(=C\C(=O)O)c1ccc(-c2cccc(C(F)(F)F)c2F)o1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 3/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 6/20 0.46
POLB P06746 2/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
SLC9A1 P19634 2/20 0.43
PDE7A Q13946 1/20 0.41
PDE3A Q14432 1/20 0.41
TNFRSF1A P19438 1/20 0.38
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
SCHEMBL1410228 0.86 PDE7A (0.48) ALDH1A1MAPTHPGDHTTNPSR1
SCHEMBL1410095 0.84 ALDH1A1 (0.43) ALDH1A1MAPTHPGDHTTNPSR1
SCHEMBL1409349 0.80 ALDH1A1 (0.47) ALDH1A1MAPTHPGDHTTNPSR1
SCHEMBL1410091 0.78 RPA1 (0.43) ALDH1A1MAPTHPGDHTTNPSR1
SCHEMBL1410151 0.77 CYP1A2 (0.57) ALDH1A1HPGDGAATDP1KDM4E
SCHEMBL1410158 0.76 EPHX2 (0.41) ALDH1A1MAPTHPGDHTTNPSR1
SCHEMBL1410412 0.75 RXRA (0.44) ALDH1A1HPGDTDP1KDM4ESLC9A1
SCHEMBL1409528 0.74 RXRA (0.45) ALDH1A1MAPTHPGDLMNAKDM4E
SCHEMBL1410592 0.74 RXRA (0.48) ALDH1A1HPGDTDP1KDM4ESLC9A1
SCHEMBL14300699 0.73 ALDH1A1 (0.57) ALDH1A1MAPTHPGDHTTNPSR1

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 ALDH1A1 270/4885MAPT 3305/4885HPGD 1800/4885

“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.