SCHEMBL6793108

SCHEMBL6793108

COc1ccc(C2(C)CSc3cc(OC)ccc3C2CCCOCCCCCO)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.32
OPRM1 P35372 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
ADRB2 P07550 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
HTR2C P28335 1/20 0.32
HRH1 P35367 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 1/20 0.32
HTR5A P47898 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SLC6A4 P31645 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
SCHEMBL5854703 0.94 SIGMAR1 (0.34) SLC6A2OPRM1SIGMAR1ADRB2HTR1A
SCHEMBL5854345 0.94 SIGMAR1 (0.34) SLC6A2OPRM1SIGMAR1ADRB2HTR1A
SCHEMBL5855958 0.94 SIGMAR1 (0.34) SLC6A2OPRM1SIGMAR1ADRB2HTR1A
SCHEMBL5854306 0.88 SIGMAR1 (0.32) SLC6A2OPRM1SIGMAR1ADRB2HTR1A
SCHEMBL5856954 0.87 ESR1 (0.34) SLC6A2OPRM1SIGMAR1ADRB2HTR1A
SCHEMBL5853946 0.85 PPARD (0.30)
SCHEMBL5855963 0.85
SCHEMBL5854955 0.85
SCHEMBL7123993 0.84 MTNR1A (0.35) SLC6A2OPRM1SIGMAR1ADRB2HTR1A
SCHEMBL5854323 0.83 SIGMAR1 (0.34) SLC6A2OPRM1SIGMAR1ADRB2HTR1A

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-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA 2004-05-27 US disclosed
US-6645951-B1 Antiestrogens for treating breast cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-11 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-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives NR5A1, SHBG, ESR2 SLC6A2 4264/4885OPRM1 354/4885SIGMAR1 223/4885

“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.