SCHEMBL4610159

SCHEMBL4610159

COc1ccccc1CCCOC[C@H]1CO1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.45
GLA P06280 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 3/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL7848381 0.91 ALDH1A1 (0.47) TSHRSMN1; SMN2ALDH1A1GLATAAR1
SCHEMBL4609572 0.91 ALDH1A1 (0.47) TSHRSMN1; SMN2ALDH1A1GLATAAR1
SCHEMBL8706369 0.84 ALDH1A1 (0.58) TSHRSMN1; SMN2ALDH1A1GLATAAR1
SCHEMBL27652934 0.84 TSHR (0.52) TSHRSMN1; SMN2ALDH1A1GLATAAR1
SCHEMBL27648280 0.82 SMN1; SMN2 (0.53) TSHRSMN1; SMN2ALDH1A1GLAMEN1
SCHEMBL27351459 0.82 SMN1; SMN2 (0.57) TSHRSMN1; SMN2ALDH1A1GLAMEN1
SCHEMBL11196753 0.82 TAAR1 (0.50) ALDH1A1TAAR1HTR1AADRA1DADRA1A
SCHEMBL28227275 0.82 TSHR (0.53) TSHRSMN1; SMN2ALDH1A1GLAMEN1
SCHEMBL10846097 0.82 IDO1 (0.50) ALDH1A1GLATAAR1SIGMAR1TDP1
SCHEMBL585113 0.81 TAAR1 (0.60) TAAR1SIGMAR1KCNH2HRH3

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 TSHR 35/4885SMN1; SMN2 3811/4885ALDH1A1 4104/4885
US-20040006130-A1 Calcium receptor antagonist CALCRL, CASR, CALCR TSHR 92/4885SMN1; SMN2 4244/4885ALDH1A1 3406/4885

“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.