SCHEMBL6742323

SCHEMBL6742323

Brc1ccccc1[C@H](OC[C@H]1CO1)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.33
IDO1 P14902 3/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MGLL Q99685 3/20 0.32
SLC18A3 Q16572 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
TDO2 P48775 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
SCHEMBL6743415 1.00 TDP1 (0.39) TDP1ALDH1A1GLATSHRTP53
SCHEMBL17226943 1.00 TDP1 (0.39) TDP1ALDH1A1GLATSHRTP53
SCHEMBL4609594 0.84 ALDH1A1 (0.47) TDP1ALDH1A1GLATSHRTP53
SCHEMBL4609592 0.84 ALDH1A1 (0.47) TDP1ALDH1A1GLATSHRTP53
SCHEMBL14502702 0.84 ALDH1A1 (0.47) TDP1ALDH1A1GLATSHRTP53
SCHEMBL14502704 0.81 ALDH1A1 (0.45) TDP1ALDH1A1GLATSHRTP53
SCHEMBL4610224 0.81 ALDH1A1 (0.45) TDP1ALDH1A1GLATSHRTP53
SCHEMBL4610221 0.81 ALDH1A1 (0.45) TDP1ALDH1A1GLATSHRTP53
SCHEMBL11219775 0.80 TDP1 (0.42) TDP1ALDH1A1GLATSHRTP53
SCHEMBL1556308 0.79 ALDH1A1 (0.41) TDP1ALDH1A1GLATSHRTP53

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
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-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

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 TDP1 3917/4885ALDH1A1 2584/4885GLA 3204/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR TDP1 4784/4885ALDH1A1 2138/4885GLA 1682/4885

“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.