SCHEMBL12640477

SCHEMBL12640477

Cc1cc(C)cc(-c2cc(-c3cc(C)cc(C)c3)cc(N(c3cccc(C#N)c3)c3ccc4ccc5c(N(c6cccc(C#N)c6)c6cc(-c7cc(C)cc(C)c7)cc(-c7cc(C)cc(C)c7)c6)ccc6ccc3c4c65)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.33
KCNA5 P22460 1/20 0.33
SYK P43405 1/20 0.32
EGFR P00533 1/20 0.31
PGR P06401 2/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
CYP1A2 P05177 2/20 0.31
TSHR P16473 2/20 0.31
KMT2A Q03164 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
F9 P00740 1/20 0.30
ABCG2 Q9UNQ0 2/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL12640441 0.93 PGR (0.34) KCNN4KCNA5SYKPGRMEN1
SCHEMBL12640535 0.92 F9 (0.34) PGRMEN1ALDH1A1LMNACYP1A2
SCHEMBL12576043 0.91
SCHEMBL12640613 0.89 MEN1 (0.35) KCNN4KCNA5PGRMEN1ALDH1A1
SCHEMBL12640421 0.88 ALDH1A1 (0.36) KCNN4KCNA5PGRMEN1ALDH1A1
SCHEMBL12640488 0.88 PGR (0.34) PGRMEN1ALDH1A1KMT2AMAPT
SCHEMBL12640532 0.87 MAPK14 (0.32) KCNN4KCNA5EGFRPGRMEN1
SCHEMBL12640516 0.87 ALDH1A1 (0.33) PGRALDH1A1ABCG2
SCHEMBL179187 0.86 ENPP2 (0.38) KCNN4KCNA5PGRMEN1ALDH1A1
SCHEMBL12640478 0.86 GABRG2 (0.32) PGRMEN1ALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126892-B2 Blue fluorescence compound and organic electroluminescence device using the same LG DISPLAY CO., LTD. (KR) 2015-09-08 US disclosed
US-20110156011-A1 BLUE FLUORESCENCE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LG DISPLAY CO., LTD. (KR) 2011-06-30 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-20110156011-A1 BLUE FLUORESCENCE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME KCNN2, ORAI2, ETV6 KCNN4 10/4885KCNA5 49/4885SYK 1602/4885

“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.