SCHEMBL13063101

SCHEMBL13063101

C[Si](C)(C)c1ccc(-c2ccc3ccccc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.55
ESR2 Q92731 3/20 0.55
LPL P06858 1/20 0.50
LIPG Q9Y5X9 1/20 0.50
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
CYP17A1 P05093 1/20 0.48
CYP19A1 P11511 1/20 0.48
ALOX5 P09917 1/20 0.48
CYP1A2 P05177 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP2C9 P11712 2/20 0.47
HPGD P15428 2/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL26820135 1.00 ESR1 (0.55) ESR1ESR2LPLLIPGCYP11B1
SCHEMBL26548377 1.00 ESR1 (0.55) ESR1ESR2LPLLIPGCYP11B1
SCHEMBL26820142 1.00 ESR1 (0.55) ESR1ESR2LPLLIPGCYP11B1
SCHEMBL26820143 1.00 ESR1 (0.55) ESR1ESR2LPLLIPGCYP11B1
SCHEMBL26547927 1.00 ESR1 (0.55) ESR1ESR2LPLLIPGCYP11B1
SCHEMBL26548559 0.98 ESR1 (0.53) ESR1ESR2LPLLIPGCYP11B1
SCHEMBL26548866 0.98 ESR1 (0.53) ESR1ESR2LPLLIPGCYP11B1
SCHEMBL26548544 0.91 ESR1 (0.44) ESR1ESR2LPLLIPGCYP11B1
SCHEMBL26548158 0.91 ESR1 (0.44) ESR1ESR2LPLLIPGCYP11B1
SCHEMBL26548674 0.89 ESR1 (0.46) ESR1ESR2LPLLIPGCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331585-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2010-12-30 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 (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-20100331585-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT NR2E1, AR, ELP1 ESR1 25/4885ESR2 6/4885LPL 4415/4885

“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.