SCHEMBL19912510

SCHEMBL19912510

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.33
KIF11 P52732 1/20 0.32
CYP2C9 P11712 1/20 0.31
SCN9A Q15858 1/20 0.31
TACR1 P25103 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
SCHEMBL19912507 0.95 AR (0.33) ARKIF11CYP2C9SCN9ATACR1
SCHEMBL19912491 0.94 AR (0.33) ARKIF11TACR1
SCHEMBL20925133 0.92 AR (0.36) ARKIF11CYP2C9SCN9A
SCHEMBL19912505 0.91 AR (0.33) ARKIF11CYP2C9SCN9A
SCHEMBL19903620 0.91 AR (0.34) ARKIF11TACR1
SCHEMBL20617165 0.91 AR (0.34) ARKIF11TACR1
SCHEMBL19912493 0.90 RXRA (0.33) ARKIF11
SCHEMBL19912511 0.89 AR (0.32) AR
SCHEMBL19912490 0.89 AR (0.33) ARTACR1
SCHEMBL20617424 0.89 KIF11 (0.36) ARKIF11CYP2C9SCN9A

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 4212/4885KIF11 3316/4885CYP2C9 691/4885

“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.