SCHEMBL6742313

SCHEMBL6742313

CCC[C@@H](OCC1CO1)c1cccc(F)c1Br

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
GLA P06280 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
BACE1 P56817 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
SCHEMBL10132719 1.00 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL6741809 0.90 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL6741764 0.87 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL10132713 0.87 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL13263928 0.85 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL17227009 0.85 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL10132770 0.85 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL6742283 0.84 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL6741844 0.84 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL10132732 0.84 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 US 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
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
EP-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP 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 2138/4885TP53 2995/4885CYP3A4 373/4885

“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.