SCHEMBL6741862

SCHEMBL6741862

CC[C@@H](OC[C@H]1CO1)c1cc(Cl)ccc1Br

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
FFAR1 O14842 1/20 0.31
DRD4 P21917 4/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL10132742 0.90 DRD4 (0.32) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL6742568 0.90 DRD4 (0.32) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL6742644 0.90 S1PR3 (0.32) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL6742515 0.84 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL14824577 0.84 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL6741658 0.84 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL17226941 0.84 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL14824561 0.81 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL6742839 0.81 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL6743062 0.80 DRD4 (0.32) 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.