SCHEMBL7119397

SCHEMBL7119397

CCOC(=O)C(CCCCCCCC[C@@H]1c2ccc(O)cc2OC[C@]1(SC)c1ccc(O)cc1)CCCC(F)(F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.34
ESR2 Q92731 2/20 0.31
NR1I2 O75469 1/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
ESRRA P11474 1/20 0.31
EPHX2 P34913 1/20 0.31
PPARG P37231 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 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
SCHEMBL7121854 0.91 ESR1 (0.41) ESR1ESR2NR1I2NR3C1PGR
SCHEMBL7120288 0.91 ESR1 (0.41) ESR1ESR2NR1I2NR3C1PGR
SCHEMBL7119245 0.91 ESR1 (0.41) ESR1ESR2NR1I2NR3C1PGR
SCHEMBL6796356 0.91 ESR1 (0.41) ESR1ESR2NR1I2NR3C1PGR
SCHEMBL7128675 0.91 ESR1 (0.41) ESR1ESR2NR1I2NR3C1PGR
SCHEMBL7118594 0.91 ESR1 (0.41) ESR1ESR2NR1I2NR3C1PGR
SCHEMBL7128081 0.91 ESR1 (0.41) ESR1ESR2NR1I2NR3C1PGR
SCHEMBL7122216 0.91 ESR1 (0.41) ESR1ESR2NR1I2NR3C1PGR
SCHEMBL7120337 0.91 ESR1 (0.41) ESR1ESR2NR1I2NR3C1PGR
SCHEMBL7117923 0.91 ESR1 (0.41) ESR1ESR2NR1I2NR3C1PGR

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 ESR1 8/4885ESR2 5/4885NR1I2 39/4885

“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.