SCHEMBL12640472

SCHEMBL12640472

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CYP2A6 P11509 1/20 0.39
HRH3 Q9Y5N1 5/20 0.35
GRM2 Q14416 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
PGR P06401 3/20 0.33
ITK Q08881 1/20 0.33
KDM1A O60341 2/20 0.32
HCRTR2 O43614 1/20 0.32
KIF11 P52732 1/20 0.31
HSD11B1 P28845 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CSNK1D P48730 1/20 0.31
GSK3B P49841 1/20 0.31
CSNK1G2 P78368 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
SCHEMBL12640473 1.00 ALDH1A1 (0.39) ALDH1A1CYP2A6HRH3GRM2MAPKAPK2
SCHEMBL12640480 0.95 ABCG2 (0.36) ALDH1A1CYP2A6HRH3GRM2MAPKAPK2
SCHEMBL12640465 0.95 ABCG2 (0.36) ALDH1A1CYP2A6HRH3GRM2MAPKAPK2
SCHEMBL17117411 0.94 ABCG2 (0.37) ALDH1A1CYP2A6HRH3ITKKDM1A
SCHEMBL12640426 0.94 PGR (0.37) HRH3PGRKIF11
SCHEMBL17066409 0.92 HRH3 (0.33) ALDH1A1CYP2A6HRH3GRM2MAPKAPK2
SCHEMBL12575800 0.92 ALDH1A1 (0.33) ALDH1A1CYP2A6HRH3GRM2MAPKAPK2
SCHEMBL12575859 0.92 ALDH1A1 (0.33) ALDH1A1CYP2A6HRH3GRM2MAPKAPK2
SCHEMBL12640516 0.91 ALDH1A1 (0.33) ALDH1A1CYP2A6HRH3GRM2PGR
SCHEMBL12640525 0.91 HRH3 (0.34) ALDH1A1CYP2A6HRH3GRM2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9287507-B2 Organic electroluminescent element, compounds and materials used for the organic electroluminescent element, and light-emitting, display and illuminating devices using the elements UDC Ireland (IE) 2016-03-15 US disclosed
US-9126892-B2 Blue fluorescence compound and organic electroluminescence device using the same LG DISPLAY CO., LTD. (KR) 2015-09-08 US disclosed
US-20130214259-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, COMPOUNDS AND MATERIALS USED FOR THE ORGANIC ELECTROLUMINESCENT ELEMENT, AND LIGHT-EMITTING, DISPLAY AND ILLUMINATING DEVICES USING THE ELEMENTS UDC IRELAND LIMITED (IE) 2013-08-22 US disclosed
US-20130214259-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, COMPOUNDS AND MATERIALS USED FOR THE ORGANIC ELECTROLUMINESCENT ELEMENT, AND LIGHT-EMITTING, DISPLAY AND ILLUMINATING DEVICES USING THE ELEMENTS UDC IRELAND LIMITED (IE) 2013-08-22 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 ALDH1A1 561/4885CYP2A6 3526/4885HRH3 4011/4885

“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.