SCHEMBL21258769

SCHEMBL21258769

N#Cc1c(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1-n1c2cc(-c3ccccc3)ccc2c2ccc(-c3ccccc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KIF11 P52732 4/20 0.35
AR P10275 3/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
CYP2C9 P11712 1/20 0.34
SCN9A Q15858 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
PTPN5 P54829 1/20 0.32
LDHA P00338 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
SCHEMBL21258771 0.97 ALDH1A1 (0.37) ALDH1A1TDP1MAPTSMN1; SMN2KIF11
SCHEMBL21258830 0.92 ALOX5AP (0.39) ALDH1A1TDP1MAPTSMN1; SMN2KIF11
SCHEMBL20111844 0.92 ALDH1A1 (0.39) ALDH1A1TDP1MAPTSMN1; SMN2KIF11
SCHEMBL20111551 0.92 KIF11 (0.44) KIF11ARALOX5APFEN1PTPN5
SCHEMBL20111559 0.92 KIF11 (0.39) ALDH1A1TDP1MAPTSMN1; SMN2KIF11
SCHEMBL20111554 0.91 KIF11 (0.40) ALDH1A1TDP1MAPTSMN1; SMN2KIF11
SCHEMBL21258667 0.91 PTPN5 (0.39) ALDH1A1TDP1MAPTSMN1; SMN2KIF11
SCHEMBL20111549 0.91 ALDH1A1 (0.37) ALDH1A1TDP1MAPTSMN1; SMN2KIF11
SCHEMBL21258709 0.91 AR (0.43) ALDH1A1MAPTKIF11ARHPGD
SCHEMBL21258672 0.90 ALOX5AP (0.34) ALDH1A1TDP1MAPTSMN1; SMN2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10971688-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2021-04-06 US disclosed
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-08-15 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 (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-10971688-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OPRM1 ALDH1A1 65/4885TDP1 2554/4885MAPT 1511/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 ALDH1A1 654/4885TDP1 4101/4885MAPT 2738/4885

“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.