SCHEMBL12004409

SCHEMBL12004409

Cc1cc(C(C)(c2ccc(-c3ccc(O)cc3)cc2)c2cc(C)c(O)c(C)c2)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.60
ESR2 Q92731 9/20 0.60
HSD17B1 P14061 2/20 0.44
HSD17B2 P37059 2/20 0.44
AR P10275 3/20 0.43
ALOX5 P09917 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KIF11 P52732 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.38
TYR P14679 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR6 P50406 1/20 0.38
ESRRG P62508 1/20 0.38

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
SCHEMBL12004569 0.93 ESR1 (0.68) ESR1ESR2HSD17B1HSD17B2AR
SCHEMBL12005784 0.93 ESR1 (0.68) ESR1ESR2HSD17B1HSD17B2AR
SCHEMBL12006459 0.92 ESR1 (0.53) ESR1ESR2ARMEN1KMT2A
SCHEMBL12004194 0.90 ESR1 (0.59) ESR1ESR2HSD17B1HSD17B2AR
SCHEMBL12004206 0.88 ESR1 (0.61) ESR1ESR2HSD17B1HSD17B2AR
SCHEMBL10774275 0.88 ESR1 (0.75) ESR1ESR2HSD17B1HSD17B2AR
SCHEMBL31209779 0.88 ESR1 (0.75) ESR1ESR2HSD17B1HSD17B2AR
SCHEMBL5031065 0.88 ESR1 (0.75) ESR1ESR2ARMEN1KMT2A
SCHEMBL675044 0.88 ESR1 (0.69) ESR1ESR2ARHPGDHSD17B10
SCHEMBL18661741 0.87 ESR1 (0.60) ESR1ESR2ARMEN1KMT2A

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
CN-102596873-B Novel trisphenol compound HONSHU CHEMICAL IND 2014-11-12 CN disclosed
US-8816135-B2 Trisphenol compound HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2014-08-26 US disclosed
US-20120220805-A1 NOVEL TRISPHENOL COMPUND HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2012-08-30 US disclosed
CN-102596873-A Novel trisphenol compound HONSHU CHEMICAL IND 2012-07-18 CN 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-20120220805-A1 NOVEL TRISPHENOL COMPUND NCOR1, NCOR2, NCOA1 ESR1 40/4885ESR2 18/4885HSD17B1 285/4885

“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.