SCHEMBL10001653

SCHEMBL10001653

CCC(C)c1ccccc1P(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DRD1 P21728 2/20 0.37
ATM Q13315 1/20 0.35
RORC P51449 1/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
TRPA1 O75762 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
PPARA Q07869 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL23581097 0.80 CYP3A4 (0.46) CYP3A4TDP1DRD1KDM4EESR1
SCHEMBL10024962 0.80 CYP3A4 (0.46) TSHRCYP3A4TDP1DRD1KDM4E
SCHEMBL28829382 0.80 CYP3A4 (0.38) TSHRCYP3A4TDP1DRD1ESR1
SCHEMBL28069430 0.80 CYP3A4 (0.38) TSHRCYP3A4TDP1DRD1ESR1
SCHEMBL7089620 0.77 CYP3A4 (0.42) TSHRCYP3A4TDP1DRD1KDM4E
SCHEMBL29053288 0.77 CYP3A4 (0.42) CYP3A4TDP1DRD1KDM4EESR1
SCHEMBL16292891 0.77 CYP3A4 (0.42) CYP3A4TDP1DRD1KDM4EESR1
SCHEMBL7165274 0.77 CYP3A4 (0.42) TSHRCYP3A4TDP1DRD1KDM4E
SCHEMBL668759 0.77 CYP3A4 (0.42) CYP3A4TDP1DRD1KDM4EESR1
SCHEMBL14954728 0.76 CYP3A4 (0.41) CYP3A4TDP1DRD1KDM4EESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415504-B2 Catalyst carrier, catalyst thereon and C-C coupling method use the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2013-04-09 US disclosed
US-8415504-B2 Catalyst carrier, catalyst thereon and C-C coupling method use the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2013-04-09 US disclosed
US-20120165574-A1 Catalsyt carrier, catalsyt thereon and C-C coupling method use the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-06-28 US disclosed
US-20120165574-A1 Catalsyt carrier, catalsyt thereon and C-C coupling method use the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-06-28 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-20120165574-A1 Catalsyt carrier, catalsyt thereon and C-C coupling method use the same QPCT, CBLC, CLTC TSHR 4566/4885CYP3A4 3137/4885TDP1 1899/4885

“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.