SCHEMBL2352579

SCHEMBL2352579

Cc1oc2c(C(=O)NCC3CCCCC3)ccc(Cn3ccnc3)c2c1C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.52
CNR1 P21554 4/20 0.50
CNR2 P34972 4/20 0.50
NSD2 O96028 1/20 0.45
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
CD38 P28907 1/20 0.40
TBXAS1 P24557 1/20 0.39
KMT2A Q03164 2/20 0.39
PTGES O14684 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
CYP17A1 P05093 1/20 0.37
IL1B P01584 1/20 0.37
P2RX7 Q99572 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL9843743 0.84 CYP19A1 (0.56) CYP19A1CYP11B1CYP11B2TBXAS1KMT2A
SCHEMBL9843746 0.83 CYP19A1 (0.57) CYP19A1CYP11B1CYP11B2TBXAS1CYP17A1
SCHEMBL2352944 0.79 CYP19A1 (0.62) CYP19A1CYP11B1CYP11B2TBXAS1CYP17A1
Hydrochloric Acid SCHEMBL9844004 0.78 CYP19A1 (0.61) CYP19A1CYP11B1CYP11B2TBXAS1CYP17A1
SCHEMBL6436325 0.76 HTR4 (0.40) CNR1KMT2APTGESNPC1RAB9A
SCHEMBL9843756 0.75 PTGES (0.39) CNR1KMT2APTGESNPC1RAB9A
SCHEMBL8869750 0.71 CYP19A1 (0.69) CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL2355216 0.69 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2CYP17A1
Hydrochloric Acid SCHEMBL9844041 0.68 CYP19A1 (0.98) CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL5233914 0.67 CNR1 (1.00) CNR1CNR2

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210109085-A1 METHODS FOR PREDICTING ER-MEDIATED DNA DAMAGE UNIVERSITY OF MASSACHUSETTS 2021-04-15 US disclosed
US-8871750-B2 Use of aromatase inhibitors for endometrial thinning in preparation for surgical procedures on the endometrial cavity and uterus WAYNE STATE UNIVERSITY (US) 2014-10-28 US disclosed
US-8008333-B2 Inducing ovulation; increasing response to follicle stimulating hormone ARES TRADING S.A. (CH) 2011-08-30 US disclosed
US-7846957-B2 Aromatase inhibition to enhance assisted reproduction ARES TRADING S.A. (CH) 2010-12-07 US disclosed
US-7820706-B2 Multiple dose aromatase inhibitor for treating infertility ARES TRADING S.A. (CH) 2010-10-26 US disclosed
US-20100105640-A1 Aromatase Inhibitors for Emergency Contraception CASPER ROBERT F 2010-04-29 US disclosed
EP-1898923-A4 AROMATASE INHIBITORS FOR EMERGENCY CONTRACEPTION CASPER ROBERT F (CA) 2009-05-20 EP disclosed
EP-1804805-A4 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY UNIV WAYNE STATE (US) 2008-08-13 EP disclosed
EP-1898923-A1 AROMATASE INHIBITORS FOR EMERGENCY CONTRACEPTION Casper, Robert F. (CA) 2008-03-19 EP disclosed
US-20080045484-A1 Use of Aromatase Inhibitors for Endometrial Thinning in Preparation for Surgical Procedures on the Endometrial Cavity and Uterus MOUNT SINAI HOSPITAL (CA) 2008-02-21 US disclosed
EP-1383578-A1 SINGLE DOSE AROMATASE INHIBITOR FOR TREATING INFERTILITY ARES TRADING S.A. (CH) 2004-01-28 EP disclosed
EP-1381431-A1 AROMATASE INHIBITION TO ENHANCE ASSISTED REPRODUCTION ARES TRADING S.A. (CH) 2004-01-21 EP disclosed
WO-2003082336-A1 FEMALE BIRTH CONTROL METHOD 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
WO-2002083146-A1 MULTIPLE DOSE AROMATASE INHIBITOR FOR TREATING INFERTILITY ARES TRADING S.A. (CH) 2002-10-24 WO disclosed
WO-2002083239-A1 AROMATASE INHIBITORS FOR TREATING INFERTILITY ARES TRADING S.A. (CH) 2002-10-24 WO disclosed
WO-2002083240-A1 AROMATASE INHIBITION TO ENHANCE ASSISTED REPRODUCTION ARES TRADING S.A. (CH) 2002-10-24 WO disclosed
WO-2002083241-A1 SINGLE DOSE AROMATASE INHIBITOR FOR TREATING INFERTILITY ARES TRADING S.A. (CH) 2002-10-24 WO disclosed
US-5583128-A ADMINISTERING A SIDE EFFECT REDUCED AROMATASE INHIBITOR CIBA-GEIGY CORPORATION (US) 1996-12-10 US disclosed
EP-0445073-A1 Benzofurans CIBA-GEIGY AG (CH) 1991-09-04 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 (2 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-20080045484-A1 Use of Aromatase Inhibitors for Endometrial Thinning in Preparation for Surgical Procedures on the Endometrial Cavity and Uterus CYP19A1, SHBG, HSD17B11 CYP19A1 1/4885CNR1 3592/4885CNR2 2888/4885
US-20100105640-A1 Aromatase Inhibitors for Emergency Contraception CYP19A1, SHBG, HSD17B11 CYP19A1 1/4885CNR1 398/4885CNR2 589/4885

“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.