SCHEMBL3055394

SCHEMBL3055394

COc1cccc(CN2Cc3cc(OC)c(O)cc3C(O)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHCR7 Q9UBM7 1/20 0.54
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
ACHE P22303 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
DRD4 P21917 2/20 0.42
TMEM97 Q5BJF2 2/20 0.42
PDE4B Q07343 1/20 0.42

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
SCHEMBL3052036 0.79 DHCR7 (0.80) DHCR7ALDH1A1KDM4EMAPTHTT
SCHEMBL3054533 0.77 DHCR7 (0.70) DHCR7ALDH1A1KDM4EMAPTHTT
SCHEMBL3052193 0.74 SIGMAR1 (0.42) DHCR7ALDH1A1KDM4EMAPTHTT
SCHEMBL2918653 0.73 SIGMAR1 (0.63) ALDH1A1KDM4EMAPTSIGMAR1MEN1
SCHEMBL3041403 0.73 DHCR7 (0.42) DHCR7ALDH1A1KDM4EMAPTHTT
SCHEMBL3046693 0.73 CA2 (0.47) DHCR7ALDH1A1KDM4EMAPTSIGMAR1
SCHEMBL3050133 0.72 DHCR7 (0.55) DHCR7ALDH1A1KDM4ESIGMAR1TDP1
SCHEMBL3051837 0.71 DHCR7 (0.67) DHCR7ALDH1A1KDM4EMAPTHTT
SCHEMBL3064349 0.71 DHCR7 (0.67) DHCR7ALDH1A1KDM4EMAPTHTT
SCHEMBL3058753 0.71 DHCR7 (0.53) DHCR7ALDH1A1KDM4ESIGMAR1TDP1

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.