SCHEMBL4610163

SCHEMBL4610163

CCC(OCC1CO1)c1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GLA P06280 1/20 0.46
TDP1 Q9NUW8 1/20 0.39
ADRA2C P18825 1/20 0.38
ADRA1A P35348 4/20 0.35
HTR1A P08908 3/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ADRB2 P07550 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1B P35368 2/20 0.35

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
SCHEMBL4610155 1.00 ALDH1A1 (0.46) ALDH1A1GLATDP1ADRA2CADRA1A
SCHEMBL28475513 0.91 ALDH1A1 (0.46) ALDH1A1GLATDP1ADRA1AHTR1A
SCHEMBL6743150 0.88 ALDH1A1 (0.38) ALDH1A1GLATDP1ADRA2CADRA1A
SCHEMBL27652935 0.85 ALDH1A1 (0.49) ALDH1A1GLATDP1ADRA1ACHRM2
SCHEMBL28227277 0.82 ALDH1A1 (0.40) ALDH1A1GLATDP1ADRA1AHTR1A
SCHEMBL27648281 0.82 ALDH1A1 (0.40) ALDH1A1GLATDP1TP53CYP3A4
SCHEMBL29248852 0.82 TSHR (0.45) ALDH1A1GLATDP1TP53CYP3A4
SCHEMBL27857931 0.82 ALDH1A1 (0.40) ALDH1A1GLATDP1ADRA1AHTR1A
SCHEMBL6742839 0.82 ALDH1A1 (0.40) ALDH1A1GLATDP1ADRA1AHTR1A
SCHEMBL14824561 0.82 ALDH1A1 (0.40) ALDH1A1GLATDP1ADRA1AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308436-B1 CALCIUM RECEPTOR ANTAGONISTS JAPAN TOBACCO INC (JP) 2008-10-15 EP disclosed
US-7211685-B2 Calcium receptor antagonists JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-6916956-B2 Calcium receptor antagonist JAPAN TOBACCO, INC. (JP) 2005-07-12 US disclosed
US-20050107448-A1 Calcium receptor antagonists JAPAN TABACCO INC. 2005-05-19 US disclosed
US-20040006130-A1 Calcium receptor antagonist JAPAN TOBACCO INC (JP) 2004-01-08 US disclosed
EP-1308436-A1 CALCIUM RECEPTOR ANTAGONISTS JAPAN TOBACCO INC. (JP) 2003-05-07 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 (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-20050107448-A1 Calcium receptor antagonists CASR, CALCR, CALCRL ALDH1A1 4104/4885GLA 2441/4885TDP1 3746/4885
US-20040006130-A1 Calcium receptor antagonist CALCRL, CASR, CALCR ALDH1A1 3406/4885GLA 2049/4885TDP1 2861/4885

“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.