SCHEMBL19912511

SCHEMBL19912511

Cc1cc(-c2c(-n3c4ccc(-c5ccc(C(F)(F)F)cc5C)cc4c4cc(-c5ccc(C(F)(F)F)cc5C)ccc43)cc(C#N)cc2-n2c3ccc(-c4ccc(C)cc4C)cc3c3cc(-c4ccc(C)cc4C(F)(F)F)ccc32)cc(C(F)(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
RXRA P19793 1/20 0.30
RXRG P48443 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 0.94 AR (0.33) AR
SCHEMBL19912494 0.94 RXRA (0.33) ARRXRARXRG
SCHEMBL22564345 0.90 RXRA (0.36) ARRXRARXRG
SCHEMBL19903521 0.90 RXRA (0.34) ARRXRARXRG
SCHEMBL19912505 0.90 AR (0.33) AR
SCHEMBL26776953 0.90 AR (0.33) AR
SCHEMBL19912490 0.90 AR (0.33) ARRXRARXRG
SCHEMBL19912510 0.89 AR (0.33) AR
SCHEMBL20112060 0.89 AR (0.35) AR
SCHEMBL19913168 0.89 LRRK2 (0.32) AR

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 4212/4885AKR1C3 561/4885AKR1C2 1604/4885

“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.