SCHEMBL20150695

SCHEMBL20150695

COC1=CC(O)OC(CCc2ccc(OC)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
CALM1 P0DP23 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SLC18A2 Q05940 1/20 0.39
F2RL1 P55085 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL8805151 0.75 DRD2 (0.53) DRD2DRD4DRD3CALM1TAAR1
SCHEMBL20150693 0.74 CYP3A4 (0.46) CYP3A4KMT2A
SCHEMBL9618008 0.73 CALM1 (0.49) KDM4EKMT2ACALM1TAAR1SIGMAR1
SCHEMBL18214339 0.73 CYP3A4 (0.78) CYP3A4DRD2DRD4DRD3TAAR1
SCHEMBL2690240 0.71 SLC6A4 (0.66) TAAR1MAOB
SCHEMBL9291908 0.68 MAOB (0.56) CALM1TAAR1SIGMAR1SLC18A2MAOB
SCHEMBL9291906 0.68 MAOB (0.56) CALM1TAAR1SIGMAR1SLC18A2MAOB
SCHEMBL6790873 0.68 CYP3A4 (0.51) CYP3A4DRD2DRD4DRD3TAAR1
SCHEMBL16838790 0.68 MAOB (0.63) TAAR1SIGMAR1MAOB
SCHEMBL20150779 0.67 CYP3A4 (0.47) CYP3A4DRD2DRD4DRD3SLC18A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134679-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF KUALITY HERBCEUTICS LLC (US) 2018-05-17 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-20180134679-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NQO1, VHL, XIAP CYP3A4 2215/4885DRD2 4296/4885DRD4 3552/4885

“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.