SCHEMBL452969

SCHEMBL452969

[CH]=CCCCc1ccc2occcc1-2

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 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
SCHEMBL448512 0.95 ALDH1A1 (0.37) USP2ALDH1A1HPGDTDP1
SCHEMBL446626 0.80 POLB (0.32) USP2ALDH1A1HPGDTDP1
SCHEMBL2096586 0.78 MAPT (0.34) USP2ALDH1A1HPGDTDP1
SCHEMBL2096513 0.77 ALDH1A1 (0.37) USP2ALDH1A1HPGDTDP1
SCHEMBL27645167 0.76 USP2 (0.31) USP2ALDH1A1HPGDTDP1
SCHEMBL2094790 0.75 ALDH1A1 (0.34) USP2ALDH1A1HPGDTDP1
SCHEMBL27666122 0.75 ALDH1A1 (0.33) USP2ALDH1A1HPGDTDP1
SCHEMBL2095889 0.74 OPRM1 (0.38) ALDH1A1HPGDTDP1
SCHEMBL2091925 0.72
SCHEMBL2095737 0.71 KDM4E (0.37) USP2ALDH1A1HPGDTDP1

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-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

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 USP2 3755/4885ALDH1A1 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.