SCHEMBL6797918

SCHEMBL6797918

Cc1c(F)ccc([C@@H](C)OCC2CO2)c1Br

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
TDP1 Q9NUW8 1/20 0.30
TP53 P04637 2/20 0.30
MAPT P10636 2/20 0.30
HPGD P15428 2/20 0.30
TSHR P16473 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30
PPARG P37231 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL6741264 1.00 ALDH1A1 (0.37) ALDH1A1GLATDP1TP53MAPT
SCHEMBL6742134 0.85 ALDH1A1 (0.35) ALDH1A1GLATDP1TP53MAPT
SCHEMBL10151055 0.85 ALDH1A1 (0.35) ALDH1A1GLATDP1TP53MAPT
SCHEMBL2477200 0.83 ALDH1A1 (0.37) ALDH1A1GLATDP1TP53MAPT
SCHEMBL10165559 0.83 ALDH1A1 (0.37) ALDH1A1GLATDP1TP53MAPT
SCHEMBL17220616 0.83 ALDH1A1 (0.37) ALDH1A1GLATDP1TP53MAPT
SCHEMBL13263958 0.81 ALDH1A1 (0.39) ALDH1A1GLATDP1TP53MAPT
SCHEMBL2477285 0.80 ALDH1A1 (0.35) ALDH1A1GLATDP1TP53MAPT
SCHEMBL2503620 0.80 ALDH1A1 (0.35) ALDH1A1GLATDP1TP53MAPT
SCHEMBL6742165 0.79 ALDH1A1 (0.32) ALDH1A1GLATP53TSHRHIF1A

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-2374794-B1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2015-11-04 EP disclosed
EP-2374788-B1 INDANYL COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2013-04-03 EP disclosed
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 US disclosed
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 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-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR ALDH1A1 2138/4885GLA 1682/4885TDP1 4784/4885

“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.