SCHEMBL448220

SCHEMBL448220

C=Cc1ccc2occcc1-2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
POLB P06746 4/20 0.35
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
PKM P14618 2/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 2/20 0.35
CASP1 P29466 2/20 0.35
PTPN7 P35236 2/20 0.35
RECQL P46063 2/20 0.35
BLM P54132 2/20 0.35
CASP7 P55210 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL28648344 0.90 ALDH1A1 (0.39) ALDH1A1POLBMAPTL3MBTL1TDP1
SCHEMBL97156 0.79 ERN1 (0.46) ALDH1A1POLBMAPTL3MBTL1TDP1
SCHEMBL27629482 0.79 HTR1A (0.36) ALDH1A1POLBMAPTL3MBTL1TDP1
SCHEMBL452371 0.79 POLB (0.35) ALDH1A1POLBMAPTL3MBTL1TDP1
SCHEMBL28049583 0.71 ALDH1A1 (0.39) ALDH1A1POLBMAPTL3MBTL1TDP1
SCHEMBL610633 0.69 ERN1 (0.49) ALDH1A1POLBMAPTL3MBTL1TDP1
SCHEMBL2095737 0.68 KDM4E (0.37) ALDH1A1POLBMAPTL3MBTL1TDP1
SCHEMBL2008325 0.67 TAAR1 (0.45) ALDH1A1POLBMAPTL3MBTL1TDP1
SCHEMBL3886495 0.67 TP53 (0.44) ALDH1A1POLBMAPTL3MBTL1TDP1
SCHEMBL28754631 0.67 MEN1 (0.45) ALDH1A1POLBMAPTL3MBTL1TDP1

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 ALDH1A1 461/4885POLB 4094/4885MAPT 4550/4885

“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.