SCHEMBL3052607

SCHEMBL3052607

COc1cccc(CN2C(C)c3cc(OC)c(O)cc3CC2(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHCR7 Q9UBM7 1/20 0.48
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
SIGMAR1 Q99720 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 1/20 0.42
MAOA P21397 1/20 0.41
ADRA2C P18825 1/20 0.41
HRH2 P25021 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD3 P35462 1/20 0.40
ACHE P22303 1/20 0.39
HCRTR1 O43613 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 1/20 0.39
CMA1 P23946 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3057653 0.79 DRD2 (0.61) DHCR7ALDH1A1KDM4ESIGMAR1NPSR1
SCHEMBL3055295 0.78 DHCR7 (0.58) DHCR7ALDH1A1KDM4ESIGMAR1DRD2
SCHEMBL3050133 0.71 DHCR7 (0.55) DHCR7ALDH1A1KDM4ESIGMAR1DRD2
SCHEMBL3052036 0.68 DHCR7 (0.80) DHCR7ALDH1A1KDM4ESIGMAR1NPSR1
SCHEMBL3055394 0.68 DHCR7 (0.54) DHCR7ALDH1A1KDM4ESIGMAR1NPSR1
SCHEMBL3058753 0.67 DHCR7 (0.53) DHCR7ALDH1A1KDM4ESIGMAR1DRD2
SCHEMBL3061603 0.67 CMA1 (0.52) DHCR7ALDH1A1KDM4EDRD2DRD3
SCHEMBL3054533 0.67 DHCR7 (0.70) DHCR7ALDH1A1KDM4ESIGMAR1NPSR1
SCHEMBL3052820 0.66 ROCK2 (0.55) DHCR7DRD2DRD3ACHEMEN1
SCHEMBL3057093 0.65 HCRTR1 (0.54) SIGMAR1DRD2DRD1DRD3HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 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-20100222299-A1 COMPOUND MKI67, VHL, MYC DHCR7 421/4885ALDH1A1 1517/4885KDM4E 1083/4885

“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.