SCHEMBL7528658

SCHEMBL7528658

CC(=O)O[C@H]1[C@H](C(=O)O)C[C@H]2[C@@H]3CCc4cc(OCc5ccccc5)ccc4[C@H]3CC[C@@]21C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.69
MAPK1 P28482 2/20 0.69
USP2 O75604 1/20 0.69
HRH3 Q9Y5N1 3/20 0.58
CYP1A1 P04798 1/20 0.53
CYP1B1 Q16678 1/20 0.53
ESR1 P03372 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP3A4 P08684 2/20 0.53
TP53 P04637 1/20 0.53
STS P08842 4/20 0.51
LMNA P02545 3/20 0.51
HSD17B1 P14061 3/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ALOX15 P16050 1/20 0.51
BRCA1 P38398 1/20 0.51
RECQL P46063 1/20 0.51
ADORA3 P0DMS8 2/20 0.50
ATM Q13315 2/20 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
SCHEMBL23158588 0.91 MAPT (0.70) MAPTMAPK1USP2HRH3CYP1A1
SCHEMBL23158589 0.91 MAPT (0.70) MAPTMAPK1USP2HRH3CYP1A1
SCHEMBL26260179 0.91 MAPT (0.70) MAPTMAPK1USP2HRH3CYP1A1
SCHEMBL23158600 0.91 MAPT (0.70) MAPTMAPK1USP2HRH3CYP1A1
SCHEMBL12379451 0.89 USP2 (0.80) MAPTMAPK1USP2HRH3CYP1A1
SCHEMBL2290207 0.89 USP2 (0.80) MAPTMAPK1USP2HRH3CYP1A1
SCHEMBL7518219 0.89 USP2 (0.80) MAPTMAPK1USP2HRH3CYP1A1
SCHEMBL7521943 0.89 MAPT (0.67) MAPTMAPK1USP2HRH3CYP1A1
SCHEMBL7521946 0.89 MAPT (0.67) MAPTMAPK1USP2HRH3CYP1A1
SCHEMBL7530626 0.87 MAPT (0.65) MAPTMAPK1USP2HRH3CYP1A1

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 MAPT 4839/4885MAPK1 2798/4885USP2 1185/4885

“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.