SCHEMBL20111846

SCHEMBL20111846

N#Cc1c(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1-n1c2ccccc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
TDP1 Q9NUW8 3/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
S1PR1 P21453 3/20 0.34
S1PR3 Q99500 2/20 0.34
KDM4E B2RXH2 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
HPGD P15428 3/20 0.33
GAA P10253 2/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
ABCG2 Q9UNQ0 5/20 0.32
CYP2C9 P11712 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
SCHEMBL20111845 0.97 ALDH1A1 (0.36) ALDH1A1TDP1MAPTSMN1; SMN2S1PR1
SCHEMBL19942594 0.96 ALDH1A1 (0.34) ALDH1A1TDP1MAPTSMN1; SMN2S1PR1
SCHEMBL20112049 0.94 ALDH1A1 (0.34) ALDH1A1TDP1MAPTSMN1; SMN2S1PR1
SCHEMBL21109633 0.94 ALDH1A1 (0.36) ALDH1A1TDP1MAPTSMN1; SMN2S1PR1
SCHEMBL21279041 0.92 KDM4E (0.38) ALDH1A1TDP1MAPTSMN1; SMN2S1PR1
SCHEMBL20111549 0.92 ALDH1A1 (0.37) ALDH1A1TDP1MAPTSMN1; SMN2S1PR1
SCHEMBL20112052 0.91 CYP2C9 (0.33) ALDH1A1TDP1KDM4EL3MBTL1HPGD
SCHEMBL22563489 0.91 KDM4E (0.38) ALDH1A1TDP1MAPTSMN1; SMN2KDM4E
SCHEMBL25659431 0.91 ALDH1A1 (0.35) ALDH1A1TDP1MAPTS1PR1S1PR3
SCHEMBL25660664 0.91 ALOX5AP (0.38) ALDH1A1TDP1MAPTSMN1; SMN2HPGD

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-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
EP-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP disclosed
WO-2018077492-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-03 WO 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.