SCHEMBL21116167

SCHEMBL21116167

Cc1cccc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc(-n6c7ccccc7c7ccc(-c8cccc(C)c8)cc76)cc5C#N)c(C#N)c4)c3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AR P10275 1/20 0.41
KDM4E B2RXH2 1/20 0.37
S1PR4 O95977 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
S1PR1 P21453 1/20 0.37
IMPDH2 P12268 2/20 0.36
GRM2 Q14416 1/20 0.35
LRRK2 Q5S007 2/20 0.34
F2 P00734 1/20 0.34
PLAU P00749 1/20 0.34
ELANE P08246 1/20 0.34
CTRB1 P17538 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL21116168 0.95 AR (0.45) ALDH1A1HPGDMAPK1LMNASMN1; SMN2
SCHEMBL21116174 0.93 AR (0.41) ALDH1A1HPGDMAPK1LMNASMN1; SMN2
SCHEMBL21131800 0.91 AR (0.44) ALDH1A1HPGDMAPK1LMNASMN1; SMN2
SCHEMBL20155970 0.90 ALDH1A1 (0.39) ALDH1A1HPGDMAPK1LMNASMN1; SMN2
SCHEMBL21116429 0.89 ALDH1A1 (0.47) ALDH1A1HPGDMAPK1LMNASMN1; SMN2
SCHEMBL21116367 0.88 AR (0.45) ALDH1A1HPGDMAPK1LMNASMN1; SMN2
SCHEMBL21116192 0.88 GRM2 (0.41) ALDH1A1HPGDMAPK1LMNASMN1; SMN2
SCHEMBL21116368 0.87 ALDH1A1 (0.39) ALDH1A1HPGDMAPK1LMNASMN1; SMN2
SCHEMBL21131799 0.85 AR (0.48) ALDH1A1HPGDMAPK1LMNASMN1; SMN2
SCHEMBL21116428 0.85 ALDH1A1 (0.50) ALDH1A1HPGDMAPK1LMNASMN1; SMN2

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-11271174-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2022-03-08 US disclosed
US-20190198779-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-27 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-20190198779-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, NOX3 ALDH1A1 2170/4885HPGD 3190/4885MAPK1 3226/4885
US-11271174-B2 Organic molecules for use in organic optoelectronic devices OR10J3, ORC3, NOX3 ALDH1A1 2201/4885HPGD 2857/4885MAPK1 3273/4885

“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.