SCHEMBL6741986

SCHEMBL6741986

CC[C@@H](OC[C@H]1CO1)c1ccc(C)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
GLA P06280 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 4/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 2/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 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
SCHEMBL10132723 0.90 ALDH1A1 (0.33) ALDH1A1GLAHTR2AHTR2CHTR2B
SCHEMBL6742996 0.90 ALDH1A1 (0.33) ALDH1A1GLAHTR2AHTR2CHTR2B
SCHEMBL6742644 0.85 S1PR3 (0.32) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL10151075 0.83 ALDH1A1 (0.36) ALDH1A1GLAHTR2AHTR2CHTR2B
SCHEMBL2475856 0.83 ALDH1A1 (0.36) ALDH1A1GLAHTR2AHTR2CHTR2B
SCHEMBL6742839 0.82 ALDH1A1 (0.40) ALDH1A1GLAHTR2AHTR2BTDP1
SCHEMBL14824561 0.82 ALDH1A1 (0.40) ALDH1A1GLAHTR2AHTR2BTDP1
SCHEMBL6796221 0.80 ALDH1A1 (0.31) ALDH1A1GLA
SCHEMBL6742441 0.80 ALDH1A1 (0.31) ALDH1A1GLA
SCHEMBL10132853 0.80 ALDH1A1 (0.30) ALDH1A1TSHRTP53HIF1ACYP3A4

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 2584/4885GLA 3204/4885HTR2A 163/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR ALDH1A1 2138/4885GLA 1682/4885HTR2A 512/4885

“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.