SCHEMBL7087556

SCHEMBL7087556

COC(=O)C(CCCCCCCCCC1c2ccc(OC)cc2SCC1(C)c1ccc(OC)cc1)CCCCCCC(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
MTNR1A P48039 6/20 0.31
MTNR1B P49286 6/20 0.31
NQO2 P16083 5/20 0.31
NR1I2 O75469 1/20 0.30
RORC P51449 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL6940319 1.00 ESR1 (0.33) ESR1MTNR1AMTNR1BNQO2NR1I2
SCHEMBL7122203 0.93 ESR1 (0.33) ESR1
SCHEMBL5856061 0.92 ESR1 (0.40) ESR1MTNR1AMTNR1BNQO2AR
SCHEMBL5854915 0.92 ESR1 (0.40) ESR1MTNR1AMTNR1BNQO2AR
SCHEMBL6941157 0.90
SCHEMBL7084769 0.90
SCHEMBL7813218 0.89 SIGMAR1 (0.32)
SCHEMBL5855930 0.89 ESR1 (0.40) ESR1NR1I2AR
SCHEMBL7128086 0.87 MTNR1A (0.32) MTNR1AMTNR1BNQO2
SCHEMBL5854887 0.87 MTNR1A (0.32) MTNR1AMTNR1BNQO2

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-6555571-B2 Hormone inhibitor; sexual disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-29 US disclosed
US-20030013756-A1 3-methyl -chromane or thiochromane derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-01-16 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-20030013756-A1 3-methyl -chromane or thiochromane derivatives ESR2, GPER1, NR5A1 ESR1 5/4885MTNR1A 210/4885MTNR1B 334/4885

“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.