SCHEMBL19917997

SCHEMBL19917997

N#Cc1cc(C#N)cc(-c2ccc3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4n(-c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c(-n5c6cc(-c7cc(C#N)cc(C#N)c7)ccc6c6ccc(-c7cc(C#N)cc(C#N)c7)cc65)cc4C#N)c3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
RXRG P48443 1/20 0.41
XDH P47989 1/20 0.35
KIF11 P52732 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP1A2 P05177 1/20 0.32
METAP2 P50579 1/20 0.32
APP P05067 1/20 0.30
BACE1 P56817 1/20 0.30
PGR P06401 1/20 0.30
NAAA Q02083 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
PDPK1 O15530 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
SCHEMBL20617033 0.99 RXRA (0.41) RXRARXRGXDHKIF11CYP11B1
SCHEMBL22822447 0.99 RXRA (0.41) RXRARXRGXDHKIF11CYP11B1
SCHEMBL19903607 0.96 RXRA (0.38) RXRARXRGXDHKIF11CYP11B1
SCHEMBL22822530 0.95 RXRA (0.39) RXRARXRGXDHKIF11CYP11B1
SCHEMBL20617037 0.95 RXRA (0.39) RXRARXRGXDHKIF11CYP11B1
SCHEMBL19917927 0.94 CYP11B1 (0.36) RXRARXRGKIF11CYP11B1CYP11B2
SCHEMBL20617400 0.94 KIF11 (0.42) RXRARXRGXDHKIF11CYP11B1
SCHEMBL19903593 0.92 KIF11 (0.43) RXRARXRGKIF11CYP11B1CYP11B2
SCHEMBL20925053 0.92 RXRA (0.41) RXRARXRGXDHKIF11CYP11B1
SCHEMBL22822333 0.92 RXRA (0.38) RXRARXRGXDHKIF11CYP11B1

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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-10-08 US disclosed
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 (2 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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, ORC3, AOC3 RXRA 3779/4885RXRG 3669/4885XDH 91/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 RXRA 3635/4885RXRG 3474/4885XDH 68/4885

“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.