SCHEMBL19912450

SCHEMBL19912450

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.37
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
RXRA P19793 2/20 0.32
RXRG P48443 1/20 0.32
XDH P47989 2/20 0.31
RXRB P28702 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
PGR P06401 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
SCHEMBL21440706 0.97 AR (0.36) ARCYP11B1CYP11B2RXRARXRG
SCHEMBL19912439 0.95 AR (0.36) ARCYP11B1CYP11B2XDHPGR
SCHEMBL19913252 0.94 METAP2 (0.34) ARCYP11B1CYP11B2XDHCTSS
SCHEMBL22822333 0.94 RXRA (0.38) ARCYP11B1CYP11B2RXRARXRG
SCHEMBL19912417 0.94 AR (0.39) ARRXRARXRGXDHSMN1; SMN2
SCHEMBL19918042 0.93 AR (0.36) ARCYP11B1CYP11B2RXRAXDH
SCHEMBL19912409 0.92 AR (0.35) ARTSHRSMN1; SMN2CTSSCTSK
SCHEMBL19917927 0.92 CYP11B1 (0.36) ARCYP11B1CYP11B2RXRARXRG
SCHEMBL19913115 0.92 CYP11B1 (0.34) ARCYP11B1CYP11B2XDHTSHR
SCHEMBL19912421 0.92 AR (0.38) ARRXRARXRGXDHSMN1; SMN2

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 4212/4885CYP11B1 823/4885CYP11B2 550/4885

“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.