SCHEMBL1987286

SCHEMBL1987286

CC(C)(C)C(=O)Oc1ccc2[nH]c3c(c2c1)CSc1ccccc1-3

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALOX15 P16050 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
CCNB2 O95067 3/20 0.41
CDK1 P06493 3/20 0.41
CCNB1 P14635 3/20 0.41
CCNB3 Q8WWL7 3/20 0.41
GSK3B P49841 2/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
ELANE P08246 4/20 0.38
MDH2 P40926 3/20 0.37
PRKCB P05771 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
SCHEMBL1985758 0.82 KMT2A (0.66) MEN1KMT2AALOX15TDP1CCNB2
SCHEMBL1983834 0.80 MEN1 (0.56) MEN1KMT2AALOX15TDP1CCNB2
SCHEMBL1986592 0.78 MEN1 (0.71) MEN1KMT2AALOX15TDP1CCNB2
SCHEMBL1987598 0.76 ACHE (0.39) KMT2A
SCHEMBL29454522 0.73 MEN1 (1.00) MEN1KMT2AALOX15TDP1CCNB2
SCHEMBL29454627 0.73 MEN1 (1.00) MEN1KMT2AALOX15TDP1CCNB2
SCHEMBL1986281 0.73 MEN1 (1.00) MEN1KMT2AALOX15TDP1CCNB2
SCHEMBL1987408 0.73 MEN1 (0.71) MEN1KMT2AALOX15TDP1CCNB2
SCHEMBL13219145 0.73 MEN1 (0.71) MEN1KMT2AALOX15TDP1CCNB2
SCHEMBL1985243 0.73 MEN1 (0.71) MEN1KMT2AALOX15TDP1CCNB2

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 32 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-7696239-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2010-04-13 US disclosed
US-7696239-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2010-04-13 US disclosed
US-20080114048-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS SUI ZHIHUA 2008-05-15 US disclosed
US-20080114048-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS SUI ZHIHUA 2008-05-15 US disclosed
US-20080114048-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS SUI ZHIHUA 2008-05-15 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
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-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

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 MEN1 2881/4885KMT2A 2260/4885ALOX15 2436/4885
US-20060116513-A1 Novel tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators NR5A1, ESRRA, SHBG MEN1 2881/4885KMT2A 2260/4885ALOX15 2436/4885
US-20140066479-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS NR5A1, ESRRA, SHBG MEN1 2881/4885KMT2A 2260/4885ALOX15 2436/4885
US-20080114048-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS NR5A1, ESRRA, SHBG MEN1 2881/4885KMT2A 2260/4885ALOX15 2436/4885

“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.