SCHEMBL1986184

SCHEMBL1986184

COc1ccc2[nH]c3c(c2c1)CCc1ccccc1-3

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.62
RIPK1 Q13546 2/20 0.62
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA4 P22748 2/20 0.60
CA6 P23280 2/20 0.60
CCNB2 O95067 3/20 0.58
CDK1 P06493 3/20 0.58
CCNB1 P14635 3/20 0.58
CCNB3 Q8WWL7 3/20 0.58
GSK3B P49841 1/20 0.58
CDK5 Q00535 1/20 0.58
CDK5R1 Q15078 1/20 0.58
KDM4E B2RXH2 6/20 0.55
MAPT P10636 5/20 0.55
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 4/20 0.55
HPGD P15428 3/20 0.55
MEN1 O00255 3/20 0.55
CYP1A2 P05177 3/20 0.55

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
SCHEMBL1987531 0.92 CCNB2 (0.67) MAPK10RIPK1CA1CA2CA4
SCHEMBL7132711 0.89 MAPK10 (0.64) MAPK10RIPK1CA1CA2CA4
SCHEMBL8946305 0.88 CA1 (0.73) MAPK10RIPK1CA1CA2CA4
SCHEMBL12301264 0.85 CA1 (0.78) MAPK10RIPK1CA1CA2CA4
SCHEMBL5708473 0.81 CA1 (0.55) MAPK10RIPK1CA1CA2CA4
SCHEMBL22440904 0.81 CA1 (0.56) MAPK10RIPK1CA1CA2CA4
SCHEMBL20807249 0.81 CA1 (0.56) MAPK10RIPK1CA1CA2CA4
SCHEMBL1984707 0.80 CCNB2 (0.54) MAPK10RIPK1CA1CA2CA4
SCHEMBL1985652 0.80 CCNB2 (0.61) MAPK10RIPK1CA1CA2CA4
SCHEMBL30063877 0.79 CA1 (0.71) MAPK10RIPK1CA1CA2CA4

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303037-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-04-05 US disclosed
US-9303037-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-04-05 US disclosed
US-20140066479-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-03-06 US disclosed
US-20140066479-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-03-06 US disclosed
EP-1796664-B1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-11-27 EP disclosed
US-8580840-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-11-12 US disclosed
US-8580840-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-11-12 US disclosed
US-8580840-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-11-12 US disclosed
US-8318766-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-11-27 US disclosed
US-8318766-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-11-27 US disclosed
US-20080114048-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS SUI ZHIHUA 2008-05-15 US disclosed
EP-1907394-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-09 EP disclosed
US-7338973-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-04 US disclosed
US-7338973-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-04 US disclosed
US-7338973-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-04 US disclosed
EP-1796664-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-20 EP disclosed
US-20060116415-A1 Novel tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US disclosed
US-20060116513-A1 Novel tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US disclosed
WO-2006047017-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-04 WO disclosed
WO-2006034090-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-30 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 (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-20060116415-A1 Novel tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators NR5A1, ESRRA, SHBG MAPK10 2530/4885RIPK1 2842/4885CA1 3310/4885
US-20060116513-A1 Novel tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators NR5A1, ESRRA, SHBG MAPK10 2530/4885RIPK1 2842/4885CA1 3310/4885
US-20140066479-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS NR5A1, ESRRA, SHBG MAPK10 2530/4885RIPK1 2842/4885CA1 3310/4885
US-20080114048-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS NR5A1, ESRRA, SHBG MAPK10 2530/4885RIPK1 2842/4885CA1 3310/4885

“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.