SCHEMBL4640786

SCHEMBL4640786

CC(O)(Cn1cncn1)Cn1cncn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.56
HSP90AA1 P07900 2/20 0.53
CYP3A4 P08684 4/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP19A1 P11511 4/20 0.45
LMNA P02545 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP2C9 P11712 2/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
ADRA1A P35348 1/20 0.45
CYP51A1 Q16850 1/20 0.45
KMT2A Q03164 1/20 0.44
EGLN3 Q9H6Z9 1/20 0.42
UGT1A4 P22310 1/20 0.39
PDE4D Q08499 1/20 0.39
AR P10275 1/20 0.37
CYP2B6 P20813 1/20 0.36
CYP3A5 P20815 1/20 0.36
CYP3A7 P24462 1/20 0.36

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
SCHEMBL10515723 0.90 FDPS (0.51) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL11168444 0.87 FDPS (0.56) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL21277060 0.83 FDPS (0.53) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL6984785 0.82 FDPS (0.50) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL6680541 0.79 FDPS (0.53) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL1064062 0.79 CYP3A4 (0.57) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL30523221 0.78 FDPS (0.56) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL8468188 0.78 HSP90AA1 (0.49) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL17621603 0.77 FDPS (0.47) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL10883268 0.77 FDPS (0.50) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590950-B2 Methods for predicting ER-mediated DNA damage UNIVERSITY OF MASSACHUSETTS (US) 2026-03-31 US disclosed
EP-1804805-A4 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY UNIV WAYNE STATE (US) 2008-08-13 EP disclosed
EP-1804819-A4 USE OF AROMATASE INHIBITORS FOR ENDOMETRIAL THINNING IN PREPARATION FOR SURGICAL PROCEDURES ON THE ENDOMETRIAL CAVITY AND UTERUS UNIV WAYNE STATE (US) 2007-12-12 EP disclosed
EP-1804805-A2 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY WAYNE STATE UNIVERSITY (US) 2007-07-11 EP disclosed
EP-1804819-A2 USE OF AROMATASE INHIBITORS FOR ENDOMETRIAL THINNING IN PREPARATION FOR SURGICAL PROCEDURES ON THE ENDOMETRIAL CAVITY AND UTERUS WAYNE STATE UNIVERSITY (US) 2007-07-11 EP disclosed
WO-2006041939-A2 USE OF AROMATASE INHIBITORS FOR ENDOMETRIAL THINNING IN PREPARATION FOR SURGICAL PROCEDURES ON THE ENDOMETRIAL CAVITY AND UTERUS WAYNE STATE UNIVERSITY (US) 2006-04-20 WO disclosed
WO-2006041941-A2 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY WAYNE STATE UNIVERSITY (US) 2006-04-20 WO disclosed
EP-1534265-A1 COMBINATION OF AN AROMATASE INHIBITOR WITH A BISPHOSPHONATE Novartis AG (CH) 2005-06-01 EP disclosed
EP-1492515-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AROMATASE INHIBITOR AND AN ESTROGEN SUITABLE FOR HORMONE REPLACEMENT THERAPY FOR A MALE JENCAP RESEARCH LTD. (CA) 2005-01-05 EP disclosed
WO-2004012728-A1 COMBINATION OF AN AROMATASE INHIBITOR WITH A BISPHOSPHONATE NOVARTIS AG (CH) 2004-02-12 WO disclosed
WO-2003082254-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AROMATASE INHIBITOR AND AN ESTROGEN SUITABLE FOR HORMONE REPLACEMENT THERAPY FOR A MALE JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed
WO-2003082299-A1 IMPROVED HORMONE REPLACEMENT THERAPY JENCAP RESEARCH LTD. (CA) 2003-10-09 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-12590950-B2 Methods for predicting ER-mediated DNA damage ESR1, ESR2, ESRRA FDPS 4807/4885HSP90AA1 2369/4885CYP3A4 532/4885

“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.