SCHEMBL446626

SCHEMBL446626

[CH]=CCc1ccc2occcc1-2

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CASP1 P29466 1/20 0.32
PTPN7 P35236 1/20 0.32
BRCA1 P38398 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
CASP7 P55210 1/20 0.32
UBE2N P61088 1/20 0.32
KMT2A Q03164 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
SCHEMBL452969 0.80 USP2 (0.32) USP2ALDH1A1HPGDTDP1
SCHEMBL450608 0.79 CASP6 (0.31) POLBKDM4EMEN1USP2ALDH1A1
SCHEMBL448512 0.78 ALDH1A1 (0.37) USP2ALDH1A1HPGDALOX15TDP1
SCHEMBL2095737 0.76 KDM4E (0.37) POLBKDM4EMEN1USP2ALDH1A1
SCHEMBL5546711 0.75 SLC9A1 (0.40) POLBKDM4EMEN1USP2ALDH1A1
SCHEMBL2094790 0.73 ALDH1A1 (0.34) POLBKDM4EMEN1USP2ALDH1A1
SCHEMBL5500798 0.73 ALDH1A1 (0.38) POLBKDM4EMEN1USP2ALDH1A1
SCHEMBL10566263 0.73 GABRA1 (0.46) POLBKDM4EMEN1USP2ALDH1A1
SCHEMBL452371 0.71 POLB (0.35) POLBKDM4EMEN1USP2ALDH1A1
SCHEMBL8181122 0.69 AKR1B1 (0.41) POLBALDH1A1MAPTALOX15TDP1

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
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 POLB 4094/4885KDM4E 3857/4885MEN1 1828/4885

“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.