SCHEMBL20114890

SCHEMBL20114890

N#Cc1cc(-n2c3ccccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
XDH P47989 1/20 0.35
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
SCN9A Q15858 3/20 0.33
CYP2C9 P11712 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
KIF11 P52732 1/20 0.33
MAT2A P31153 1/20 0.32

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
SCHEMBL20156178 0.95 AR (0.36) ARALDH1A1LMNAHPGDMAPK1
SCHEMBL20114888 0.94 AR (0.38) ARALDH1A1LMNAHPGDMAPK1
SCHEMBL20156207 0.92 AR (0.38) ARALDH1A1LMNAHPGDMAPK1
SCHEMBL19943089 0.90 AR (0.36) ARXDHALOX5APFEN1ABCG2
SCHEMBL23679113 0.89 XDH (0.34) ARALDH1A1LMNAHPGDMAPK1
SCHEMBL20156135 0.89 AR (0.38) ARALDH1A1LMNAHPGDMAPK1
SCHEMBL20114997 0.89 AR (0.39) ARXDHALOX5APFEN1ABCG2
SCHEMBL21109746 0.89 AR (0.36) ARXDHALOX5APFEN1ABCG2
SCHEMBL20834742 0.88 S1PR1 (0.39) ALOX5APFEN1ABCG2SCN9ACYP2C9
SCHEMBL23679083 0.88 KIF11 (0.36) ALOX5APFEN1ABCG2SCN9ACYP2C9

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-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-09-24 US disclosed
EP-3315581-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-02 EP disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 US disclosed
EP-3315581-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-02 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-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, EPCAM, F12 AR 3892/4885ALDH1A1 387/4885LMNA 3586/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 AR 3892/4885ALDH1A1 387/4885LMNA 3586/4885

“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.