SCHEMBL7260222

SCHEMBL7260222

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 1.00
CYP3A4 P08684 7/20 1.00
KMT2A Q03164 6/20 1.00
MEN1 O00255 5/20 1.00
ALOX15 P16050 3/20 1.00
MAPK1 P28482 3/20 1.00
RECQL P46063 2/20 1.00
BRCA1 P38398 1/20 1.00
MAPT P10636 7/20 0.79
ESR1 P03372 7/20 0.79
TP53 P04637 4/20 0.79
SMN1; SMN2 Q16637 4/20 0.79
HIF1A Q16665 2/20 0.75
PGR P06401 3/20 0.74
AR P10275 3/20 0.74
ADORA3 P0DMS8 2/20 0.74
PTGS1 P23219 2/20 0.74
PDE3A Q14432 2/20 0.74
POLB P06746 1/20 0.74
CHRM1 P11229 1/20 0.74

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
SCHEMBL13177178 1.00 LMNA (1.00) LMNACYP3A4KMT2AMEN1ALOX15
SCHEMBL12072310 1.00 LMNA (1.00) LMNACYP3A4KMT2AMEN1ALOX15
SCHEMBL8643294 1.00 LMNA (1.00) LMNACYP3A4KMT2AMEN1ALOX15
SCHEMBL8991456 1.00 LMNA (1.00) LMNACYP3A4KMT2AMEN1ALOX15
SCHEMBL147037 1.00 LMNA (1.00) LMNACYP3A4KMT2AMEN1ALOX15
SCHEMBL12186917 1.00 LMNA (1.00) LMNACYP3A4KMT2AMEN1ALOX15
SCHEMBL8495807 0.92 LMNA (0.84) LMNACYP3A4KMT2AMEN1ALOX15
SCHEMBL24103244 0.91 LMNA (0.84) LMNACYP3A4KMT2AMEN1ALOX15
SCHEMBL9273487 0.90 LMNA (0.82) LMNACYP3A4KMT2AMEN1ALOX15
SCHEMBL15292940 0.90 LMNA (0.82) LMNACYP3A4KMT2AMEN1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069217-A1 Methods of prevention and treatment of ischemic damage SIMPKINS JAMES W (US) 2003-04-10 US disclosed
WO-2001010430-A9 USE OF ESTROGEN COMPOUNDS FOR PREVENTION AND TREATMENT OF ISCHEMIC DAMAGE UNIV FLORIDA (US) 2002-07-11 WO disclosed
US-6350739-B1 ADMINISTERING ENT-17-BETA-ESTRADIOL TO TREAT STROKE, TRAUMA, HEMORRHAGE, BRAIN DISORDERS AND MYOCARDIUM INFARCTION AND AFTER SURGERY UNIVERSITY OF FLORIDA RESARCH FOUNDATION, INC. 2002-02-26 US disclosed
EP-1143947-A2 USE OF ESTROGEN COMPOUNDS FOR PREVENTION AND TREATMENT OF ISCHEMIC DAMAGE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2001-10-17 EP disclosed
WO-2001010430-A2 USE OF ESTROGEN COMPOUNDS FOR PREVENTION AND TREATMENT OF ISCHEMIC DAMAGE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2001-02-15 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-20030069217-A1 Methods of prevention and treatment of ischemic damage ESRRB, SHBG, ESR2 LMNA 297/4885CYP3A4 2718/4885KMT2A 2684/4885

“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.