SCHEMBL1306286

SCHEMBL1306286

OCC1(c2ccc(Br)cc2)OCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CNR1 P21554 2/20 0.34
CYP2A6 P11509 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
MGLL Q99685 1/20 0.32
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
HMOX1 P09601 2/20 0.31
SLC6A2 P23975 3/20 0.30
SLC6A4 P31645 3/20 0.30

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
SCHEMBL9367962 0.82 KDM4E (0.37) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL11738097 0.80 ALDH1A1 (0.39) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1873244 0.80 SLC6A3 (0.36) SMN1; SMN2SLC6A2
SCHEMBL1876064 0.79 SMN1; SMN2 (0.47) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL7480714 0.77 KDM4E (0.38) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL8183357 0.76 KDM4E (0.37) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL16563720 0.76 KDM4E (0.42) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2082072 0.74 CNR1 (0.40) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL5732853 0.74 KDM4E (0.34) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2286730 0.74 KDM1A (0.42) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101541823-B Progesterone receptor antagonists BAYER SCHERING PHARMA AG 2012-10-03 CN disclosed
US-8053426-B2 Such as 11-beta-[4-(1,2-Dihydroxyethyl)phenyl]-20,20,21,21,21-pentafluoro-17-hydroxy-19-nor-17 alpha-pregna-4,9-dien-3-one or corresponding 4-(hydroxyacetyl)phenyl derivative thereof; endometriosis, myomas or hormone-dependent tumors, such as breast cancer BAYER SCHERING PHARMA AG (DE) 2011-11-08 US disclosed
EP-2081951-B1 PROGESTERONE RECEPTOR ANTAGONISTS BAYER SCHERING PHARMA AG (DE) 2010-04-21 EP disclosed
CN-101541823-A Progesterone receptor antagonists BAYER SCHERING PHARMA AG (DE) 2009-09-23 CN disclosed
EP-2081951-A1 PROGESTERONE RECEPTOR ANTAGONISTS Bayer Schering Pharma Aktiengesellschaft (DE) 2009-07-29 EP disclosed
US-20080200440-A1 Progesterone receptor antagonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-08-21 US disclosed
WO-2008058767-A1 PROGESTERONE RECEPTOR ANTAGONISTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 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 (1 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-20080200440-A1 Progesterone receptor antagonists PGR, PGRMC2, GNRHR ALDH1A1 1288/4885KDM4E 3358/4885CYP1A2 181/4885

“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.