SCHEMBL2777367

SCHEMBL2777367

CCCC(c1ccc(C(=O)O)cc1OCc1ccc(Cl)cc1Cl)n1ccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.45
MRGPRX4 Q96LA9 2/20 0.44
KDM4C Q9H3R0 2/20 0.43
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
HDAC8 Q9BY41 2/20 0.42
CYP2C9 P11712 3/20 0.41
LMNA P02545 3/20 0.41
CYP19A1 P11511 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP17A1 P05093 2/20 0.41
GRM6 O15303 1/20 0.41
NR1I2 O75469 1/20 0.41
EGFR P00533 1/20 0.41
NR3C1 P04150 1/20 0.41
ERBB2 P04626 1/20 0.41
CYP1A2 P05177 1/20 0.41
FYN P06241 1/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41

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
SCHEMBL2353051 0.91 HDAC8 (0.44) HDAC8CYP2C9LMNACYP19A1CYP3A4
SCHEMBL11707276 0.85 CYP19A1 (0.45) CYP2C9LMNACYP19A1CYP3A4CYP17A1
SCHEMBL11706087 0.84 CYP19A1 (0.45) CYP2C9LMNACYP19A1CYP3A4CYP17A1
SCHEMBL11706056 0.84 CYP19A1 (0.46) CYP2C9LMNACYP19A1CYP3A4CYP17A1
SCHEMBL2356494 0.83 CYP19A1 (0.42) MRGPRX4CYP2C9LMNACYP19A1CYP3A4
SCHEMBL2356031 0.81 CYP26A1 (0.43) MRGPRX4CYP19A1CYP3A4CYP17A1HTT
SCHEMBL11704755 0.80 CYP19A1 (0.44) CYP2C9LMNACYP19A1CYP3A4CYP17A1
SCHEMBL2775692 0.80 CYP19A1 (0.43) CYP2C9LMNACYP19A1CYP3A4CYP17A1
SCHEMBL2776384 0.78 CYP3A4 (0.44) CYP2C9LMNACYP19A1CYP3A4CYP17A1
SCHEMBL2354714 0.78 CYP19A1 (0.41) MRGPRX4CYP2C9LMNACYP19A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337929-A1 N-substituted imidazoles, process for their preparation and their pharmaceutical application SCHERING AKTIENGESELLSCHAFT (DE) 1989-10-18 EP claimed
US-12590950-B2 Methods for predicting ER-mediated DNA damage UNIVERSITY OF MASSACHUSETTS (US) 2026-03-31 US disclosed
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-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
EP-1381431-A1 AROMATASE INHIBITION TO ENHANCE ASSISTED REPRODUCTION ARES TRADING S.A. (CH) 2004-01-21 EP 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-2003082336-A1 FEMALE BIRTH CONTROL METHOD 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-2002083241-A1 SINGLE DOSE AROMATASE INHIBITOR 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
US-5583128-A ADMINISTERING A SIDE EFFECT REDUCED AROMATASE INHIBITOR CIBA-GEIGY CORPORATION (US) 1996-12-10 US disclosed
US-4916144-A ESTROGEN-CAUSE DISEASES SCHERING AKTIENGESELLSCHAFT (DE) 1990-04-10 US disclosed
EP-0337929-A1 N-substituted imidazoles, process for their preparation and their pharmaceutical application SCHERING AKTIENGESELLSCHAFT (DE) 1989-10-18 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-20100105640-A1 Aromatase Inhibitors for Emergency Contraception CYP19A1, SHBG, HSD17B11 NR4A2 992/4885MRGPRX4 1278/4885KDM4C 1717/4885
US-12590950-B2 Methods for predicting ER-mediated DNA damage ESR1, ESR2, ESRRA NR4A2 68/4885MRGPRX4 2768/4885KDM4C 1950/4885

“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.