SCHEMBL5527384

SCHEMBL5527384

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.71
MAPT P10636 6/20 0.71
MEN1 O00255 5/20 0.71
CYP3A4 P08684 4/20 0.71
ALOX15 P16050 3/20 0.71
TP53 P04637 2/20 0.71
MAPK1 P28482 2/20 0.71
ESR1 P03372 7/20 0.67
LMNA P02545 7/20 0.67
ESR2 Q92731 5/20 0.67
PGR P06401 3/20 0.67
AR P10275 3/20 0.67
HIF1A Q16665 3/20 0.67
PTGS1 P23219 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
NR3C1 P04150 2/20 0.67
SHBG P04278 2/20 0.67
SERPINA6 P08185 2/20 0.67
SLC6A4 P31645 2/20 0.67

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
SCHEMBL4585643 0.91 LMNA (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL6331808 0.90 MAPT (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL32662774 0.90 MAPT (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL21540456 0.89 ESR1 (0.69) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL4619351 0.88 LMNA (0.62) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL7521349 0.87 KMT2A (0.72) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8177993 0.85 ESR1 (0.65) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL17814224 0.85 ESR1 (0.77) KMT2AMAPTMEN1CYP3A4ESR1
Estriol SCHEMBL7607646 0.84 ESR1 (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
Estriol SCHEMBL5527393 0.84 ESR1 (0.83) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070166362-A1 Transdermal and transmucosal preparations KABUSHIKI KAISHA SANGI (JP) 2007-07-19 US disclosed
EP-1797900-A1 PREPARATION FOR PERCUTANEOUS/PERMUCOSAL ABSORPTION KABUSHIKI KAISHA SANGI (JP) 2007-06-20 EP disclosed
EP-1721617-A2 Dental therapeutics containing parathyroid hormone CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-15 EP disclosed
US-6444420-B2 NERVOUS SYSTEM DISORDERS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2002-09-03 US disclosed
US-20010016325-A1 Activation of novel estrogen receptor supports and neuronal viability and function BOARD OF TRUSTEE OF THE LELAND STANFORD JUNIOR UNIVERSITY, THE 2001-08-23 US disclosed
US-6265147-B1 DETECTING MODULATORS OF BRAIN ACTIVITY; MIX MODULATOR WITH RECEPTORS AND DETECT ACTIVATION OF RECEPTORS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2001-07-24 US disclosed
EP-1016412-A1 DENTAL REMEDIES CONTAINING PTH CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-07-05 EP disclosed
EP-1016417-A1 PRESSURE-SENSITIVE ADHESIVES FOR PERCUTANEOUS PLASTERS AND PERCUTANEOUS PLASTERS HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2000-07-05 EP disclosed
EP-0424954-B1 Pharmaceutical composition for treatment of osteoporosis NIPPON ZOKI PHARMACEUTICAL CO (JP) 1994-04-27 EP disclosed
US-5116828-A Estrogen and thyroid hormone NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1992-05-26 US disclosed
EP-0424954-A1 Pharmaceutical composition for treatment of osteoporosis NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1991-05-02 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-20010016325-A1 Activation of novel estrogen receptor supports and neuronal viability and function ESR1, GPER1, ESR2 KMT2A 1612/4885MAPT 2499/4885MEN1 4425/4885

“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.