SCHEMBL19912416

SCHEMBL19912416

Cc1cc(-c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(C#N)cc2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.39
XDH P47989 2/20 0.35
DHODH Q02127 1/20 0.32
RXRA P19793 1/20 0.32
RXRG P48443 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PGR P06401 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
SCHEMBL19912419 0.98 AR (0.38) ARXDHDHODHRXRARXRG
SCHEMBL19912433 0.96 AR (0.38) ARXDH
SCHEMBL19912445 0.94 AR (0.37) ARXDHCYP11B1CYP11B2PGR
SCHEMBL19912432 0.94 AR (0.46) ARXDHALDH1A1PGR
SCHEMBL19912430 0.94 AR (0.43) ARXDHRXRARXRGCYP11B1
SCHEMBL19912429 0.93 AR (0.44) ARXDHALDH1A1PGR
SCHEMBL19912440 0.93 AR (0.36) ARXDHCYP11B1CYP11B2PGR
SCHEMBL19912438 0.93 AR (0.36) ARXDHRXRARXRGCYP11B1
SCHEMBL19903625 0.93 ICMT (0.35) ARXDHRXRARXRGCYP11B1
SCHEMBL19912421 0.92 AR (0.38) ARXDHDHODHRXRARXRG

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 4212/4885XDH 68/4885DHODH 2639/4885

“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.