SCHEMBL2948922

SCHEMBL2948922

CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)SCc1c-2[nH]c2ccc(O[Si](C)(C)C(C)(C)C)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
MEN1 O00255 2/20 0.43
ALOX15 P16050 2/20 0.43
KMT2A Q03164 2/20 0.43
CA1 P00915 5/20 0.36
CA12 O43570 4/20 0.36
CA9 Q16790 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HTR7 P34969 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
CASP1 P29466 1/20 0.36
RECQL P46063 1/20 0.36
HTR6 P50406 1/20 0.36
CCNB2 O95067 4/20 0.34
CDK1 P06493 4/20 0.34
CCNB1 P14635 4/20 0.34

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
SCHEMBL1983834 0.91 MEN1 (0.56) TDP1MEN1ALOX15KMT2ACA1
SCHEMBL1987936 0.82 MEN1 (0.50) TDP1MEN1ALOX15KMT2ACA1
SCHEMBL1987179 0.81 KMT2A (0.43) TDP1MEN1ALOX15KMT2ACA1
SCHEMBL1984257 0.77 GSK3B (0.53) TDP1MEN1ALOX15KMT2ACA1
SCHEMBL1987355 0.75 CCNB2 (0.59) TDP1MEN1ALOX15KMT2ACA1
SCHEMBL1986183 0.74 CA1 (0.45) TDP1MEN1ALOX15KMT2ACA1
SCHEMBL1985758 0.72 KMT2A (0.66) TDP1MEN1ALOX15KMT2ACA1
SCHEMBL1986517 0.72 CCNB2 (0.41) TDP1MEN1ALOX15KMT2ACA1
SCHEMBL28536275 0.71 CA12 (0.44) TDP1MEN1KMT2ACA1CA12
SCHEMBL1987286 0.70 MEN1 (0.55) TDP1MEN1ALOX15KMT2ACCNB2

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 21 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-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-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-20100210658-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS SUI ZHIHUA 2010-08-19 US disclosed
US-20100210658-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS SUI ZHIHUA 2010-08-19 US disclosed
US-20100204239-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS SUI ZHIHUA 2010-08-12 US disclosed
US-7759498-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V (BE) 2010-07-20 US disclosed
US-7759498-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V (BE) 2010-07-20 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-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 (6 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 TDP1 4606/4885MEN1 2881/4885ALOX15 2436/4885
US-20100204239-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS NR5A1, ESRRA, SHBG TDP1 4606/4885MEN1 2881/4885ALOX15 2436/4885
US-20060116513-A1 Novel tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators NR5A1, ESRRA, SHBG TDP1 4606/4885MEN1 2881/4885ALOX15 2436/4885
US-20140066479-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS NR5A1, ESRRA, SHBG TDP1 4606/4885MEN1 2881/4885ALOX15 2436/4885
US-20080114048-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS NR5A1, ESRRA, SHBG TDP1 4606/4885MEN1 2881/4885ALOX15 2436/4885
US-20100210658-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS NR5A1, ESRRA, SHBG TDP1 4606/4885MEN1 2881/4885ALOX15 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.