SCHEMBL19903531

SCHEMBL19903531

Cc1ccc2c3ccc(C)cc3n(-c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c(-n4c5cc(C)ccc5c5ccc(C)cc54)cc3C#N)c2c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.36
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
NCOA1 Q15788 1/20 0.32
HIF1A Q16665 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
KIF11 P52732 2/20 0.32
MAOA P21397 2/20 0.31
MAOB P27338 1/20 0.31
XDH P47989 2/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL19903509 0.96 KIF11 (0.36) ARCTSSCTSKHTTKIF11
SCHEMBL19912409 0.95 AR (0.35) ARCTSSCTSKSMN1; SMN2TSHR
SCHEMBL22564471 0.94 RXRA (0.36) ARCTSSCTSKSMN1; SMN2TSHR
SCHEMBL19912420 0.92 KIF11 (0.36) ARSMN1; SMN2TSHRKIF11XDH
SCHEMBL19917915 0.92 AR (0.44) ARCTSSCTSKSMN1; SMN2LMNA
SCHEMBL19903578 0.92 AR (0.36) ARCTSSCTSKSMN1; SMN2TSHR
SCHEMBL19912408 0.92 KIF11 (0.35) ARHTTKIF11
SCHEMBL19903604 0.91 AR (0.36) ARCTSSCTSKSMN1; SMN2TSHR
SCHEMBL20617145 0.91 KIF11 (0.34) ARSMN1; SMN2LMNAHTTKIF11
SCHEMBL19917987 0.91 AR (0.36) ARCTSSCTSKXDH

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-10-08 US disclosed
EP-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP disclosed
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287450-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 EP 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 (2 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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, ORC3, AOC3 AR 4190/4885CTSS 4248/4885CTSK 3654/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 AR 4212/4885CTSS 4073/4885CTSK 3483/4885

“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.