SCHEMBL448546

SCHEMBL448546

[CH2]OC1COc2ccccc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LTA4H P09960 1/20 0.41
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADRA2A P08913 2/20 0.40
ADRA1A P35348 2/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.40
HTR1A P08908 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
SLC6A2 P23975 1/20 0.40
DRD3 P35462 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40

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
SCHEMBL21359684 0.83 NISCH (0.47) NISCHALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL450872 0.79 ADRA2A (0.44) NISCHALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL10595452 0.77 ADRA1D (0.45) NISCHALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL450354 0.77 ADRA2A (0.42) NISCHALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL448117 0.77 LMNA (0.40) NISCHALDH1A1HPGDSMN1; SMN2LTA4H
SCHEMBL11214826 0.76 NISCH (0.45) NISCHALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL21641634 0.76 ALDH1A1 (0.43) NISCHALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL9800594 0.74 HTT (0.50) NISCHALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL5169684 0.74 HTT (0.50) NISCHALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL5172603 0.74 HTT (0.50) NISCHALDH1A1HPGDSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
EP-2435046-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMA CO LTD (JP) 2013-09-04 EP disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 WO 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-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH NISCH 1328/4885ALDH1A1 461/4885HPGD 224/4885

“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.