SCHEMBL2775692

SCHEMBL2775692

CCCC(c1cc(N)ccc1OCc1ccc(Cl)cc1Cl)n1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.43
CYP2C9 P11712 5/20 0.42
CYP3A4 P08684 5/20 0.42
CYP17A1 P05093 3/20 0.42
IDO1 P14902 3/20 0.42
LMNA P02545 2/20 0.42
PGR P06401 2/20 0.42
CHRM2 P08172 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
CYP2D6 P10635 2/20 0.42
CHRM1 P11229 2/20 0.42
ADRB3 P13945 2/20 0.42
ADRA2B P18089 2/20 0.42
CHRM3 P20309 2/20 0.42
TACR2 P21452 2/20 0.42
DRD1 P21728 2/20 0.42
ACHE P22303 2/20 0.42
SLC6A2 P23975 2/20 0.42
TBXAS1 P24557 2/20 0.42

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
SCHEMBL11706056 0.93 CYP19A1 (0.46) CYP19A1CYP2C9CYP3A4CYP17A1IDO1
SCHEMBL11707276 0.88 CYP19A1 (0.45) CYP19A1CYP2C9CYP3A4CYP17A1IDO1
SCHEMBL11706087 0.87 CYP19A1 (0.45) CYP19A1CYP2C9CYP3A4CYP17A1IDO1
SCHEMBL2354714 0.86 CYP19A1 (0.41) CYP19A1CYP2C9CYP3A4CYP17A1IDO1
SCHEMBL2776384 0.85 CYP3A4 (0.44) CYP19A1CYP2C9CYP3A4CYP17A1IDO1
SCHEMBL11704755 0.83 CYP19A1 (0.44) CYP19A1CYP2C9CYP3A4CYP17A1IDO1
SCHEMBL2356494 0.81 CYP19A1 (0.42) CYP19A1CYP2C9CYP3A4CYP17A1IDO1
SCHEMBL11702303 0.80 CYP17A1 (0.42) CYP19A1CYP2C9CYP3A4CYP17A1IDO1
SCHEMBL2777367 0.80 NR4A2 (0.45) CYP19A1CYP2C9CYP3A4CYP17A1IDO1
SCHEMBL2350287 0.80 CRHR1 (0.40) CYP19A1CYP2C9CYP3A4CYP17A1IDO1

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-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-20100105640-A1 Aromatase Inhibitors for Emergency Contraception CASPER ROBERT F 2010-04-29 US 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
US-20080025991-A1 Use of Aromatase Inhibitors for Treatment of Ectopic Pregnancy MOUNT SINAI HOSPITAL (CA) 2008-01-31 US disclosed
US-20060069067-A1 Combination of an aromatase inhibitor with a bisphosphonate NOVARTIS PHARMACEUTICALS CORPORATION 2006-03-30 US disclosed
US-20040235812-A1 Pharmaceutical composition comprisng an aromatase inhibitor and an estrogen suitable for hormone replacement therapy for a male CASPERS ROBERT F (CA) 2004-11-25 US disclosed
US-20040204393-A1 use of aromatase inhibitor in production of medicament for improving implantation and pregnancy rates for female undergoing assisted reproduction treatment comprising daily doses of aromatase inhibitor for administration during assisted reproduction or ovarian stimulation cycles to reduce serum estradiol ARES TRADING S.A. (CH) 2004-10-14 US disclosed
US-4916144-A ESTROGEN-CAUSE DISEASES SCHERING AKTIENGESELLSCHAFT (DE) 1990-04-10 US 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 (7 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-20040235812-A1 Pharmaceutical composition comprisng an aromatase inhibitor and an estrogen suitable for hormone replacement therapy for a male CYP19A1, SHBG, CYP17A1 CYP19A1 1/4885CYP2C9 65/4885CYP3A4 61/4885
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 1/4885CYP2C9 183/4885CYP3A4 80/4885
US-20080025991-A1 Use of Aromatase Inhibitors for Treatment of Ectopic Pregnancy CYP19A1, HSD17B11, CYP17A1 CYP19A1 1/4885CYP2C9 102/4885CYP3A4 106/4885
US-20060069067-A1 Combination of an aromatase inhibitor with a bisphosphonate CYP19A1, BRCA1, SHBG CYP19A1 1/4885CYP2C9 881/4885CYP3A4 909/4885
US-20040204393-A1 use of aromatase inhibitor in production of medicament for improving implantation and pregnancy rates for female undergoing assisted reproduction treatment comprising daily doses of aromatase inhibitor for administration during assisted reproduction or ovarian stimulation cycles to reduce serum estradiol CYP19A1, CYP11A1, HSD17B11 CYP19A1 1/4885CYP2C9 120/4885CYP3A4 41/4885
US-20100105640-A1 Aromatase Inhibitors for Emergency Contraception CYP19A1, SHBG, HSD17B11 CYP19A1 1/4885CYP2C9 31/4885CYP3A4 32/4885
US-12590950-B2 Methods for predicting ER-mediated DNA damage ESR1, ESR2, ESRRA CYP19A1 7/4885CYP2C9 480/4885CYP3A4 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.