SCHEMBL7129806

SCHEMBL7129806

COc1ccc([C@@]2(C)CSc3cc(OC)ccc3[C@H]2CCCCCCCCI)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.34
ADRB2 P07550 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
HRH1 P35367 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR2B P41595 1/20 0.34
HTR5A P47898 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL5854294 1.00 SIGMAR1 (0.34) SIGMAR1ADRB2HTR1AADRA2AADRA2B
SCHEMBL5854323 1.00 SIGMAR1 (0.34) SIGMAR1ADRB2HTR1AADRA2AADRA2B
SCHEMBL5854345 0.89 SIGMAR1 (0.34) SIGMAR1ADRB2HTR1AADRA2AADRA2B
SCHEMBL5855958 0.89 SIGMAR1 (0.34) SIGMAR1ADRB2HTR1AADRA2AADRA2B
SCHEMBL5854703 0.89 SIGMAR1 (0.34) SIGMAR1ADRB2HTR1AADRA2AADRA2B
SCHEMBL5856289 0.86 SIGMAR1 (0.33) SIGMAR1ADRB2HTR1AADRA2AADRA2B
SCHEMBL5854961 0.86 SIGMAR1 (0.33) SIGMAR1ADRB2HTR1AADRA2AADRA2B
SCHEMBL7813218 0.85 SIGMAR1 (0.32) SIGMAR1ADRB2HTR1AADRA2AADRA2B
SCHEMBL5854536 0.85 PTGFR (0.38)
SCHEMBL5854254 0.85 PTGFR (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610733-B2 Antiestrogen, therapeutic agent for breast cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-26 US disclosed
US-20030125571-A1 Optically active chroman and thiochroman derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-07-03 US disclosed
EP-1241165-A1 OPTICALLY ACTIVE CHROMAN AND THIOCHROMAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 EP 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-20030125571-A1 Optically active chroman and thiochroman derivatives NR5A1, CYP19A1, SHBG SIGMAR1 154/4885ADRB2 424/4885HTR1A 313/4885

“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.