SCHEMBL19912427

SCHEMBL19912427

Cc1cccc(-c2ccc3c4ccccc4n(-c4cc(-c5cc(C)cc(C(F)(F)F)c5)c(-n5c6ccccc6c6ccc(-c7cccc(C)c7)cc65)cc4C#N)c3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.44
XDH P47989 1/20 0.33
PTPN5 P54829 1/20 0.33
KIF11 P52732 1/20 0.33
KDM4A O75164 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
ENPP1 P22413 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
MAT2A P31153 1/20 0.32
PDK2 Q15119 1/20 0.31
PGR P06401 1/20 0.31
IMPDH2 P12268 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 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
SCHEMBL19912421 0.95 AR (0.38) ARXDHKIF11GRIN1GRIN2B
SCHEMBL22822441 0.94 AR (0.43) ARXDHPTPN5KIF11ENPP1
SCHEMBL19912429 0.94 AR (0.44) ARXDHPTPN5ENPP1MAT2A
SCHEMBL19912439 0.94 AR (0.36) ARXDHKIF11PGR
SCHEMBL21440724 0.94 AR (0.47) ARXDHPTPN5KDM4AKDM5B
SCHEMBL19917929 0.94 AR (0.38) ARXDHPTPN5ENPP1GRIN1
SCHEMBL19912437 0.93 AR (0.40) ARXDHPTPN5KIF11PGR
SCHEMBL19912417 0.93 AR (0.39) ARXDHKIF11GRIN1GRIN2B
SCHEMBL19912428 0.93 AR (0.41) ARXDHPTPN5KDM4AKDM5B
SCHEMBL19918042 0.92 AR (0.36) ARXDHKIF11PGR

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 4212/4885XDH 68/4885PTPN5 3658/4885

“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.