SCHEMBL19953863

SCHEMBL19953863

CC(C)(C)c1ccc2c(-c3cccc(-c4nnc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)o4)c3)c3cc(C(C)(C)C)ccc3c(-c3cccc(-c4nnc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)o4)c3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.42
RAB9A P51151 14/20 0.42
SMN1; SMN2 Q16637 9/20 0.42
HPGD P15428 5/20 0.42
TSHR P16473 3/20 0.42
S1PR1 P21453 1/20 0.42
KDM4E B2RXH2 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 5/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
MECP2 P51608 1/20 0.39
POLB P06746 3/20 0.39
EGFR P00533 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL21090317 0.86 NPC1 (0.49) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL10112430 0.85 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL13134522 0.84 S1PR1 (0.50) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL13134519 0.84 S1PR1 (0.50) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL2814436 0.84 S1PR1 (0.50) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL10064003 0.82 KIF11 (0.40) RAB9ASMN1; SMN2KDM4ENPSR1TDP1
SCHEMBL10064012 0.82 KIF11 (0.40) RAB9ASMN1; SMN2KDM4ENPSR1TDP1
SCHEMBL14489928 0.82 S1PR1 (0.58) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL31339437 0.81 S1PR1 (0.43) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL31339436 0.81 S1PR1 (0.43) NPC1RAB9ASMN1; SMN2HPGDTSHR

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-11165035-B2 Organic electroluminescent device emitting blue light CYNORA GMBH (DE) 2021-11-02 US disclosed
US-20190177303-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-13 US disclosed
US-9917270-B1 Organic electroluminescent device having an exciton quenching layer CYNORA GMBH (DE) 2018-03-13 US disclosed
US-9917270-B1 Organic electroluminescent device having an exciton quenching layer CYNORA GMBH (DE) 2018-03-13 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-20190177303-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 NPC1 3654/4885RAB9A 3768/4885SMN1; SMN2 4734/4885

“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.