SCHEMBL19903527

SCHEMBL19903527

Cc1cc(C)c(-c2ccc3c4ccccc4n(-c4cc(C#N)cc(-n5c6ccccc6c6ccc(-c7c(C)cc(C)cc7C)cc65)c4-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3c2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.34
TACR1 P25103 2/20 0.33
RXRA P19793 1/20 0.33
RXRG P48443 1/20 0.33
PDPK1 O15530 1/20 0.32
PDE9A O76083 1/20 0.31
PDE1C Q14123 1/20 0.31
MAT2A P31153 1/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 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
SCHEMBL22564368 0.98 RXRA (0.35) KIF11TACR1RXRARXRGPDPK1
SCHEMBL19912500 0.97 KIF11 (0.33) KIF11TACR1RXRARXRGPDPK1
SCHEMBL19903634 0.95 TACR1 (0.34) KIF11TACR1RXRARXRGPDPK1
SCHEMBL19903631 0.95 RXRA (0.36) KIF11RXRARXRGMAT2AGABRP
SCHEMBL22564381 0.93 RXRA (0.36) KIF11TACR1RXRARXRGPDPK1
SCHEMBL22564379 0.93 RXRA (0.38) KIF11RXRARXRGMAT2AGABRP
SCHEMBL19912495 0.92 RXRA (0.33) KIF11TACR1RXRARXRGPDE9A
SCHEMBL19912497 0.92 RXRA (0.35) KIF11RXRARXRGMAT2AGABRP
SCHEMBL19917940 0.91 RXRA (0.36) KIF11TACR1RXRARXRGPDE9A
SCHEMBL19917945 0.91 AR (0.38) KIF11TACR1RXRARXRGPDE9A

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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-10-08 US disclosed
EP-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP disclosed
EP-3287450-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-03-20 EP disclosed
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287450-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 EP 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 KIF11 3253/4885TACR1 1248/4885RXRA 3779/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 3316/4885TACR1 1242/4885RXRA 3635/4885

“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.