SCHEMBL2754768

SCHEMBL2754768

Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3N(c3ccccc3)c3ccccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CNR1 P21554 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
THPO P40225 1/20 0.36
MAPK1 P28482 1/20 0.35
NPY1R P25929 1/20 0.35
F2 P00734 1/20 0.34
ELANE P08246 1/20 0.34
CTSG P08311 1/20 0.34
CMA1 P23946 1/20 0.34
CTRC Q99895 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 3/20 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
SCHEMBL19654706 0.93 SMN1; SMN2 (0.44) PGRSMN1; SMN2CNR1GPR55ALDH1A1
SCHEMBL15385585 0.91 CNR1 (0.35) PGRSMN1; SMN2CNR1GPR55ALDH1A1
SCHEMBL4405236 0.91 PGR (0.38) PGRSMN1; SMN2CNR1GPR55ALDH1A1
SCHEMBL15385864 0.90 SMN1; SMN2 (0.35) PGRSMN1; SMN2CNR1GPR55ALDH1A1
SCHEMBL20383377 0.88 CNR1 (0.41) PGRSMN1; SMN2CNR1GPR55ALDH1A1
SCHEMBL20383358 0.87 ALDH1A1 (0.39) PGRSMN1; SMN2CNR1GPR55ALDH1A1
SCHEMBL13832931 0.87 OPRK1 (0.38) PGRSMN1; SMN2CNR1GPR55ALDH1A1
SCHEMBL12939253 0.87 PKM (0.40) PGRSMN1; SMN2CNR1GPR55ALDH1A1
SCHEMBL2754770 0.87 CNR1 (0.43) PGRSMN1; SMN2CNR1GPR55ALDH1A1
SCHEMBL2754763 0.87 ALDH1A1 (0.41) PGRSMN1; SMN2CNR1GPR55ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8632893-B2 Organic compound and organic electroluminescence device employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2014-01-21 US disclosed
US-8632893-B2 Organic compound and organic electroluminescence device employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2014-01-21 US disclosed
US-8173274-B2 Organic compound and organic electroluminescence device employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-05-08 US disclosed
US-8173274-B2 Organic compound and organic electroluminescence device employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-05-08 US disclosed
US-20120001537-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-01-05 US disclosed
US-20120001537-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-01-05 US disclosed
US-20100019658-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-01-28 US disclosed
US-20100019658-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-01-28 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 (2 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-20120001537-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME OR10J3, ORC3, PIEZO1 PGR 525/4885SMN1; SMN2 4695/4885CNR1 2070/4885
US-20100019658-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME OR10J3, DDT, HRH4 PGR 3075/4885SMN1; SMN2 4878/4885CNR1 66/4885

“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.