SCHEMBL2608161

SCHEMBL2608161

C[C@]12C[C@H](c3ccc(-c4ccc(S)cc4)cc3)C3=C4CCC(=O)C=C4CCC3C1CC[C@@]2(O)C(F)(F)C(F)(F)F

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.78
▸ NR3C1 P04150 14/20 0.59
▸ PGR P06401 7/20 0.59
▸ CYP3A4 P08684 3/20 0.54
▸ CYP2D6 P10635 3/20 0.54
▸ CYP2C19 P33261 3/20 0.54
▸ CYP2C9 P11712 3/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ THPO P40225 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ NR1I2 O75469 1/20 0.54
▸ GMNN O75496 1/20 0.54
▸ ABCB11 O95342 1/20 0.54

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
SCHEMBL2120219 1.00 AR (0.78) ARNR3C1PGRCYP3A4CYP2D6
SCHEMBL19664233 1.00 AR (0.78) ARNR3C1PGRCYP3A4CYP2D6
SCHEMBL2120217 1.00 AR (0.78) ARNR3C1PGRCYP3A4CYP2D6
SCHEMBL5500186 0.93 AR (0.79) ARNR3C1PGRCYP3A4CYP2D6
SCHEMBL19674298 0.91 AR (0.65) ARNR3C1PGRCYP3A4CYP2D6
SCHEMBL2122411 0.90 AR (0.76) ARNR3C1PGRCYP3A4CYP2D6
SCHEMBL2608148 0.90 AR (0.76) ARNR3C1PGRCYP3A4CYP2D6
SCHEMBL2122412 0.90 AR (0.76) ARNR3C1PGRCYP3A4CYP2D6
SCHEMBL11892241 0.90 AR (0.84) ARNR3C1PGRESR1ESR2
SCHEMBL5500183 0.90 AR (0.83) ARNR3C1PGRCYP3A4CYP2D6

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-9717739-B2 17-hydroxy-17-pentafluoroethyl-estra-4,9(10)-dien-11-aryl derivatives, method of production thereof and use thereof for the treatment of diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-08-01 — — US disclosed
US-9717739-B2 17-hydroxy-17-pentafluoroethyl-estra-4,9(10)-dien-11-aryl derivatives, method of production thereof and use thereof for the treatment of diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-08-01 — — US disclosed
US-20170202857-A1 17-HYDROXY-17-PENTAFLUOROETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHOD OF PRODUCTION THEREOF AND USE THEREOF FOR THE TREATMENT OF DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-20 — — US disclosed
US-20170202857-A1 17-HYDROXY-17-PENTAFLUOROETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHOD OF PRODUCTION THEREOF AND USE THEREOF FOR THE TREATMENT OF DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-20 — — US disclosed
US-20150342962-A1 17-HYDROXY-17-PENTAFLUOROETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHOD OF PRODUCTION THEREOF AND USE THEREOF FOR THE TREATMENT OF DISEASES BAYER IP GMBH (DE) 2015-12-03 — — US disclosed
US-20150342962-A1 17-HYDROXY-17-PENTAFLUOROETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHOD OF PRODUCTION THEREOF AND USE THEREOF FOR THE TREATMENT OF DISEASES BAYER IP GMBH (DE) 2015-12-03 — — US disclosed
US-8278469-B2 17-hydroxy-17-pentafluoroethyl-estra-4,9(10)-dien-11-aryl derivatives, method of production thereof and use thereof for the treatment of diseases BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-02 — — US disclosed
US-8278469-B2 17-hydroxy-17-pentafluoroethyl-estra-4,9(10)-dien-11-aryl derivatives, method of production thereof and use thereof for the treatment of diseases BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-02 — — US disclosed
US-20120149670-A1 17-HYDROXY-17-PENTAFLUOROETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHOD OF PRODUCTION THEREOF AND USE THEREOF FOR THE TREATMENT OF DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-14 — — US disclosed
US-20120149670-A1 17-HYDROXY-17-PENTAFLUOROETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHOD OF PRODUCTION THEREOF AND USE THEREOF FOR THE TREATMENT OF DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-14 — — US disclosed
US-20120094969-A1 17-HYDROXY-17-PENTAFLUOROETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHOD OF PRODUCTION THEREOF AND USE THEREOF FOR THE TREATMENT OF DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-19 — — US disclosed
US-20120094969-A1 17-HYDROXY-17-PENTAFLUOROETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHOD OF PRODUCTION THEREOF AND USE THEREOF FOR THE TREATMENT OF DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-19 — — 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 (4 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-20170202857-A1 17-HYDROXY-17-PENTAFLUOROETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHOD OF PRODUCTION THEREOF AND USE THEREOF FOR THE TREATMENT OF DISEASES CYP19A1, SHBG, HSD17B11 AR 271/4885NR3C1 515/4885PGR 22/4885
US-20150342962-A1 17-HYDROXY-17-PENTAFLUOROETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHOD OF PRODUCTION THEREOF AND USE THEREOF FOR THE TREATMENT OF DISEASES CYP19A1, SHBG, HSD17B11 AR 271/4885NR3C1 515/4885PGR 22/4885
US-20120094969-A1 17-HYDROXY-17-PENTAFLUOROETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHOD OF PRODUCTION THEREOF AND USE THEREOF FOR THE TREATMENT OF DISEASES CYP19A1, SHBG, HSD17B11 AR 271/4885NR3C1 515/4885PGR 22/4885
US-20120149670-A1 17-HYDROXY-17-PENTAFLUOROETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHOD OF PRODUCTION THEREOF AND USE THEREOF FOR THE TREATMENT OF DISEASES CYP19A1, SHBG, HSD17B11 AR 271/4885NR3C1 515/4885PGR 22/4885

“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.

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