SCHEMBL5629673

SCHEMBL5629673

CC(OCC1CO1)c1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 3/20 0.37
TSHR P16473 3/20 0.37
CYP3A4 P08684 2/20 0.37
HIF1A Q16665 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C19 P33261 2/20 0.34
HTT P42858 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
CYP1A2 P05177 1/20 0.33
PPARG P37231 1/20 0.33
CYP2C9 P11712 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32

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
SCHEMBL13597371 1.00 ALDH1A1 (0.41) ALDH1A1GLATDP1TP53TSHR
SCHEMBL5629668 1.00 ALDH1A1 (0.41) ALDH1A1GLATDP1TP53TSHR
SCHEMBL1556308 1.00 ALDH1A1 (0.41) ALDH1A1GLATDP1TP53TSHR
SCHEMBL4610998 0.84 ALDH1A1 (0.51) ALDH1A1GLATDP1TP53TSHR
SCHEMBL4610991 0.84 ALDH1A1 (0.51) ALDH1A1GLATDP1TP53TSHR
SCHEMBL11219775 0.83 TDP1 (0.42) ALDH1A1GLATDP1TP53TSHR
SCHEMBL5183794 0.83 ALDH1A1 (0.42) ALDH1A1GLATDP1TP53TSHR
SCHEMBL14824561 0.82 ALDH1A1 (0.40) ALDH1A1GLATDP1TP53TSHR
SCHEMBL6742839 0.82 ALDH1A1 (0.40) ALDH1A1GLATDP1TP53TSHR
SCHEMBL14813298 0.82 ALDH1A1 (0.43) ALDH1A1GLATDP1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285572-B2 CaSR antagonist JAPAN TOBACCO INC. (JP) 2007-10-23 US disclosed
US-20060135572-A1 CaSR antagonist JAPAN TOBACCO INC. (JP) 2006-06-22 US disclosed
EP-1630157-A1 CaSR ANTAGONIST JAPAN TOBACCO INC. (JP) 2006-03-01 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 (1 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-20060135572-A1 CaSR antagonist CASR, CALCR, CALCRL ALDH1A1 4098/4885GLA 1985/4885TDP1 4739/4885

“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.