SCHEMBL12640480

SCHEMBL12640480

Cc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(C#N)cc3)c3ccc4ccc5c(N(c6ccc(C#N)cc6)c6cc(-c7ccccc7)cc(-c7ccc(C)cc7)c6)ccc6ccc3c4c65)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2A6 P11509 1/20 0.36
MYC P01106 1/20 0.34
ALDH1A3 P47895 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
GSK3B P49841 1/20 0.34
CSNK1G2 P78368 1/20 0.34
ADORA1 P30542 4/20 0.33
ADORA2A P29274 3/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33

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
SCHEMBL12640465 1.00 ABCG2 (0.36) ABCG2ALDH1A1CYP2A6MYCALDH1A3
SCHEMBL17117411 0.99 ABCG2 (0.37) ABCG2ALDH1A1CYP2A6MYCALDH1A3
SCHEMBL12640473 0.95 ALDH1A1 (0.39) ALDH1A1CYP2A6CSNK1A1CSNK1DGSK3B
SCHEMBL12640472 0.95 ALDH1A1 (0.39) ALDH1A1CYP2A6CSNK1A1CSNK1DGSK3B
SCHEMBL12640521 0.94 MYC (0.38) ABCG2MYCALDH1A3CSNK1A1CSNK1D
SCHEMBL10040890 0.93 ABCG2 (0.38) ABCG2MYCALDH1A3CSNK1A1CSNK1D
SCHEMBL12575598 0.92 ABCG2 (0.32) ABCG2ALDH1A1CYP2A6MYCCSNK1A1
SCHEMBL12575723 0.92 ABCG2 (0.32) ABCG2ALDH1A1CYP2A6MYCCSNK1A1
SCHEMBL12640464 0.92 MYC (0.35) ABCG2ALDH1A1MYCALDH1A3CSNK1A1
SCHEMBL12640469 0.92 MYC (0.38) ABCG2MYCALDH1A3CSNK1A1CSNK1D

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 ABCG2 1448/4885ALDH1A1 561/4885CYP2A6 3526/4885

“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.