SCHEMBL6742165

SCHEMBL6742165

C[C@@H](OC[C@H]1CO1)c1cc(F)cc(F)c1Br

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
GLA P06280 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
SCHEMBL6741193 0.86 ALDH1A1 (0.33) ALDH1A1GLA
SCHEMBL6797292 0.86 ALDH1A1 (0.33) ALDH1A1GLA
SCHEMBL2476778 0.83 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL6742164 0.82 ALDH1A1 (0.32) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL6799620 0.82 ALDH1A1 (0.32) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL17220616 0.81 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL10165559 0.81 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL2477200 0.81 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL6741964 0.80 ALDH1A1 (0.32) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL2503620 0.80 ALDH1A1 (0.35) 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 8 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-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110319468-A1 CYCLIC AMINE 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
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 (2 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-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 ALDH1A1 2584/4885TP53 3433/4885CYP3A4 792/4885
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.