SCHEMBL7521349

SCHEMBL7521349

CCC(=O)O[C@@H]1CC2C3CCc4cc(O)ccc4C3CC[C@]2(C)[C@H]1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.72
MAPT P10636 5/20 0.72
MEN1 O00255 5/20 0.72
CYP3A4 P08684 3/20 0.72
ALOX15 P16050 3/20 0.72
TP53 P04637 2/20 0.72
MAPK1 P28482 2/20 0.72
LMNA P02545 6/20 0.66
ESR1 P03372 5/20 0.66
ESR2 Q92731 3/20 0.66
HIF1A Q16665 3/20 0.66
PGR P06401 2/20 0.66
AR P10275 2/20 0.66
PTGS1 P23219 2/20 0.66
CYP2C9 P11712 2/20 0.66
CYP2C19 P33261 2/20 0.66
NR3C1 P04150 1/20 0.66
SHBG P04278 1/20 0.66
SERPINA6 P08185 1/20 0.66
SLC6A4 P31645 1/20 0.66

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
SCHEMBL10349423 0.90 MAPT (0.74) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL21523188 0.89 ESR1 (0.67) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL1999916 0.89 LMNA (0.71) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL1999913 0.89 LMNA (0.71) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL7518726 0.89 LMNA (0.71) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL5527384 0.87 KMT2A (0.71) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8623738 0.84 ESR1 (0.75) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8623741 0.84 ESR1 (0.75) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL17814221 0.84 ESR1 (0.75) KMT2AMAPTMEN1CYP3A4ALOX15
Estradiol Propionate SCHEMBL480992 0.84 MAPT (1.00) KMT2AMAPTMEN1CYP3A4ALOX15

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-6476012-B2 FOR THERAPY OF SYMPTOMOLOGY ASSOCIATED WITH MENOPAUSE YALE UNIVERSITY 2002-11-05 US disclosed
US-20020143002-A1 Estradiol-16alpha-carboxylic acid esters as locally active estrogens YALE UNIVERSITY 2002-10-03 US disclosed
WO-2002058634-A2 ESTRADIOL-16α-CARBOXYLIC ACID ESTERS AS LOCALLY ACTIVE ESTROGENS YALE UNIVERSITY (US) 2002-08-01 WO 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-20020143002-A1 Estradiol-16alpha-carboxylic acid esters as locally active estrogens ESR1, ESR2, GPER1 KMT2A 307/4885MAPT 4839/4885MEN1 1823/4885

“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.