SCHEMBL4609570

SCHEMBL4609570

COc1ccccc1C(C)OC[C@H]1CO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
GLA P06280 1/20 0.49
TDP1 Q9NUW8 1/20 0.41
ADRA2C P18825 1/20 0.40
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
ADRA1A P35348 5/20 0.36

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
SCHEMBL4609577 1.00 ALDH1A1 (0.49) ALDH1A1GLATDP1ADRA2CPOLB
SCHEMBL4609623 1.00 ALDH1A1 (0.49) ALDH1A1GLATDP1ADRA2CPOLB
SCHEMBL6741923 0.87 ALDH1A1 (0.40) ALDH1A1GLATDP1ADRA2CTP53
SCHEMBL17226995 0.87 ALDH1A1 (0.40) ALDH1A1GLATDP1ADRA2CTP53
SCHEMBL14047237 0.85 ALDH1A1 (0.40) ALDH1A1GLAHTTNPSR1L3MBTL1
SCHEMBL4610998 0.84 ALDH1A1 (0.51) ALDH1A1GLATDP1ADRA2CNPSR1
SCHEMBL4610991 0.84 ALDH1A1 (0.51) ALDH1A1GLATDP1ADRA2CNPSR1
SCHEMBL5183794 0.83 ALDH1A1 (0.42) ALDH1A1GLATDP1TP53CYP3A4
SCHEMBL4610163 0.82 ALDH1A1 (0.46) ALDH1A1GLATDP1ADRA2CCHRM2
SCHEMBL4610155 0.82 ALDH1A1 (0.46) ALDH1A1GLATDP1ADRA2CCHRM2

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
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-7211685-B2 Calcium receptor antagonists JAPAN TOBACCO INC. (JP) 2007-05-01 US 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.