SCHEMBL19912491

SCHEMBL19912491

Cc1cc(-c2c(-n3c4ccccc4c4ccc(-c5ccc(C)cc5C)cc43)cc(C#N)cc2-n2c3ccccc3c3ccc(-c4ccc(C)cc4C)cc32)cc(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.33
TACR1 P25103 2/20 0.31
KIF11 P52732 1/20 0.31
PDE9A O76083 1/20 0.31
PDE1C Q14123 1/20 0.31
RXRA P19793 1/20 0.31
RXRG P48443 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
SCHEMBL19903620 0.96 AR (0.34) ARTACR1KIF11PDE9APDE1C
SCHEMBL20617165 0.96 AR (0.34) ARTACR1KIF11PDE9APDE1C
SCHEMBL19912493 0.95 RXRA (0.33) ARKIF11RXRARXRG
SCHEMBL19912490 0.95 AR (0.33) ARTACR1PDE9APDE1CRXRA
SCHEMBL19912510 0.94 AR (0.33) ARTACR1KIF11
SCHEMBL19912477 0.93 AR (0.40) ARTACR1KIF11PDE9APDE1C
SCHEMBL22564339 0.92 RXRA (0.36) ARKIF11RXRARXRG
SCHEMBL19903536 0.92 RXRA (0.34) ARKIF11RXRARXRG
SCHEMBL20617170 0.91 AR (0.34) ARTACR1KIF11PDE9APDE1C
SCHEMBL19903428 0.91 AR (0.34) ARTACR1KIF11PDE9APDE1C

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 4212/4885TACR1 1242/4885KIF11 3316/4885

“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.