SCHEMBL1771994

SCHEMBL1771994

CCCn1c(=O)cc(C(F)(F)F)c2cc(CC)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.47
RORA P35398 4/20 0.47
RORC P51449 4/20 0.47
RORB Q92753 4/20 0.47
AR P10275 8/20 0.41
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 3/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL1771618 0.83 RORA (0.50) PGRRORARORCRORBALDH1A1
SCHEMBL27543756 0.73 ALDH1A1 (0.66) PGRRORARORCRORBALDH1A1
SCHEMBL1771168 0.71 AR (0.34) PGRRORARORCRORBAR
SCHEMBL1771108 0.71 AR (0.34) PGRRORARORCRORBAR
SCHEMBL12834802 0.65 FFAR4 (0.40) ARALDH1A1LMNAMAPT
SCHEMBL14492828 0.65 PGR (0.50) PGRRORARORCRORBALDH1A1
SCHEMBL26145454 0.65 FFAR4 (0.40) ARALDH1A1LMNAMAPT
SCHEMBL2604386 0.64 ALDH1A1 (0.58) PGRRORARORCRORBALDH1A1
SCHEMBL3245823 0.64 RXRA (0.44) ALDH1A1LMNAMAPT
SCHEMBL28973475 0.64 KDM4E (0.68) PGRRORARORCRORBCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2003-07-10 US claimed
JP-2003508387-A 2003-03-04 JP claimed
EP-1212303-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-12 EP claimed
WO-2001016108-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-08 WO claimed
US-20110112084-A9 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2011-05-12 US disclosed
US-20100204216-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING AMYLOID-beta PROTEIN ACCUMULATION SUMMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-08-12 US disclosed
EP-2199284-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING ACCUMULATION OF AMYLOID- BETA PROTEIN Sumitomo Chemical Company, Limited (JP) 2010-06-23 EP disclosed
US-7696246-B2 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-04-13 US disclosed
US-20100069379-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2010-03-18 US disclosed
US-20050288350-A1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer; 6-(bis-2,2,2-Trifluoroethyl)amino-4-trifluoromethylcoumarin LIGAND PHARMACEUTICALS, INC. 2005-12-29 US disclosed
US-6964973-B2 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-11-15 US disclosed
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2003-07-10 US disclosed
US-6566372-B1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer LIGAND PHARMACEUTICALS INCORPORATED 2003-05-20 US disclosed
EP-1212303-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-12 EP disclosed
WO-2001016108-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-08 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 (5 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-20100204216-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING AMYLOID-beta PROTEIN ACCUMULATION APP, PSEN1, IAPP PGR 4342/4885RORA 4027/4885RORC 4128/4885
US-20100069379-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR PGR 3/4885RORA 72/4885RORC 103/4885
US-20110112084-A9 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR PGR 3/4885RORA 72/4885RORC 103/4885
US-20050288350-A1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer; 6-(bis-2,2,2-Trifluoroethyl)amino-4-trifluoromethylcoumarin FSHR, CYP19A1, ESR2 PGR 14/4885RORA 88/4885RORC 231/4885
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR PGR 3/4885RORA 72/4885RORC 103/4885

“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.