SCHEMBL992385

SCHEMBL992385

CC1(C)COC(C)(c2cccc(Br)c2)OC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 4/20 0.49
CHRNB1 P11230 4/20 0.49
CHRNB2 P17787 4/20 0.49
SLC6A2 P23975 4/20 0.49
CHRNB4 P30926 4/20 0.49
CHRNA3 P32297 4/20 0.49
CHRNA4 P43681 4/20 0.49
SLC6A3 Q01959 4/20 0.49
SLC6A4 P31645 3/20 0.49
CHRNG P07510 3/20 0.49
CHRND Q07001 3/20 0.49
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD11B1 P28845 1/20 0.36
BACE1 P56817 3/20 0.35
CTSD P07339 1/20 0.35
MAPT P10636 2/20 0.34
UTS2R Q9UKP6 1/20 0.33

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
SCHEMBL855229 0.85 CHRNA1 (0.48) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL3995603 0.77 TAAR1 (0.43) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL873359 0.77 CHRNB2 (0.41) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL241074 0.75 CHRNA1 (0.47) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL3647973 0.74 CHRNA1 (0.48) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL8551681 0.73 MAOB (0.43) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL3327547 0.73 CHRNA1 (0.47) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL16097817 0.72 ALOX5 (0.49) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL4882640 0.72 CHRNB2 (0.54) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL8551682 0.71 CHRNA1 (0.38) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206219-B2 17-hydroxy-17-pentafluorethyl-estra-4,9(10)-dien-11-aryl derivatives, methods for the production thereof and the use thereof for treating diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 US disclosed
US-20120258941-A1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF FOR TREATING DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-11 US disclosed
EP-2456780-A2 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF FOR TREATING DISEASES Bayer Pharma Aktiengesellschaft (DE) 2012-05-30 EP disclosed
WO-2011009534-A2 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF FOR TREATING DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 WO disclosed
US-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
US-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
US-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
WO-2008077646-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-03 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 (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-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS NR5A1, CYP19A1, GPER1 CHRNA1 584/4885CHRNB1 1111/4885CHRNB2 3527/4885
US-20120258941-A1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF FOR TREATING DISEASES CYP19A1, SHBG, HSD17B11 CHRNA1 1198/4885CHRNB1 999/4885CHRNB2 1668/4885

“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.