SCHEMBL15868669

SCHEMBL15868669

CC(C)(c1ccc(O)cc1)c1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(O)cc3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 1.00
ESR2 Q92731 10/20 1.00
CYP3A4 P08684 4/20 1.00
HPGD P15428 2/20 1.00
HSD17B10 Q99714 2/20 1.00
AR P10275 1/20 1.00
TSHR P16473 1/20 1.00
SLC6A2 P23975 1/20 1.00
SLC6A4 P31645 1/20 1.00
HTR6 P50406 1/20 1.00
ESRRG P62508 1/20 1.00
SLC6A3 Q01959 1/20 1.00
ALDH1A1 P00352 3/20 0.80
LMNA P02545 2/20 0.68
TYR P14679 2/20 0.68
SHBG P04278 1/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50

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
Bisphenol A SCHEMBL15062 1.00 ESR1 (1.00) ESR1ESR2CYP3A4HPGDHSD17B10
Bisphenol A SCHEMBL278218 1.00 ESR1 (1.00) ESR1ESR2CYP3A4HPGDHSD17B10
Bisphenol A SCHEMBL8051951 1.00 ESR1 (1.00) ESR1ESR2CYP3A4HPGDHSD17B10
Bisphenol A SCHEMBL8058731 1.00 ESR1 (1.00) ESR1ESR2CYP3A4HPGDHSD17B10
SCHEMBL27996 1.00 ESR1 (1.00) ESR1ESR2CYP3A4HPGDHSD17B10
Bisphenol A SCHEMBL9774987 1.00 ESR1 (1.00) ESR1ESR2CYP3A4HPGDHSD17B10
Bisphenol A SCHEMBL31267162 1.00 ESR1 (1.00) ESR1ESR2CYP3A4HPGDHSD17B10
Bisphenol A SCHEMBL3170263 1.00 ESR1 (1.00) ESR1ESR2CYP3A4HPGDHSD17B10
Bisphenol A SCHEMBL7169162 0.97 ESR1 (0.94) ESR1ESR2CYP3A4HPGDHSD17B10
Bisphenol A SCHEMBL11798493 0.97 ESR1 (0.94) ESR1ESR2CYP3A4HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981163-B2 Fluorine-containing aromatic compound and method for producing same Centrall Glass Company, Limited (JP) 2015-03-17 US disclosed
US-8981163-B2 Fluorine-containing aromatic compound and method for producing same Centrall Glass Company, Limited (JP) 2015-03-17 US disclosed
US-20140194655-A1 Fluorine-Containing Aromatic Compound and Method for Producing Same CENTRAL GLASS COMPANY, LIMITED (JP) 2014-07-10 US disclosed
US-20140194655-A1 Fluorine-Containing Aromatic Compound and Method for Producing Same CENTRAL GLASS COMPANY, LIMITED (JP) 2014-07-10 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-20140194655-A1 Fluorine-Containing Aromatic Compound and Method for Producing Same AFF1, AFF2, AFF4 ESR1 2958/4885ESR2 3049/4885CYP3A4 320/4885

“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.