SCHEMBL19912540

SCHEMBL19912540

Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cc(C)cc(C(F)(F)F)c5)cc(-n5c6ccccc6c6ccc(-c7ccc(C)cc7)cc65)c4C#N)c3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.37
PDE1C Q14123 3/20 0.36
PDE9A O76083 2/20 0.36
KIF11 P52732 1/20 0.35
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
ATM Q13315 1/20 0.33
PTPN5 P54829 1/20 0.33
TACR1 P25103 3/20 0.33
RXRA P19793 1/20 0.32
RXRG P48443 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
HIF1A Q16665 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
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
SCHEMBL19912556 0.97 KIF11 (0.37) ARPDE1CPDE9AKIF11ALDH1A1
SCHEMBL19912524 0.96 KIF11 (0.35) ARPDE1CPDE9AKIF11ALDH1A1
SCHEMBL19912545 0.96 KIF11 (0.36) ARPDE1CPDE9AKIF11ALDH1A1
SCHEMBL19903559 0.96 KIF11 (0.36) ARPDE1CPDE9AKIF11ALDH1A1
SCHEMBL19912531 0.95 AR (0.40) ARKIF11ALDH1A1GAAHPGD
SCHEMBL19912532 0.94 AR (0.37) ARPDE1CPDE9AKIF11ALDH1A1
SCHEMBL19917817 0.94 KIF11 (0.36) ARPDE1CPDE9AKIF11ALDH1A1
SCHEMBL22822136 0.93 RXRA (0.40) ARPDE1CPDE9AKIF11ALDH1A1
SCHEMBL19912533 0.93 AR (0.41) ARPDE1CPDE9AKIF11ALDH1A1
SCHEMBL19912335 0.93 KIF11 (0.37) ARPDE1CPDE9AKIF11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 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-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 AR 4212/4885PDE1C 4812/4885PDE9A 4759/4885

“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.