SCHEMBL21758599

SCHEMBL21758599

Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)c(-c3cnccc3-n3c4ccccc4c4cc(-c5ccc(C)cc5)ccc43)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC22A12 Q96S37 2/20 0.33
CYP11B2 P19099 3/20 0.33
CYP11B1 P15538 2/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
CASP1 P29466 1/20 0.32
RECQL P46063 1/20 0.32
CASP7 P55210 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
SCHEMBL21758248 0.94 NPY5R (0.34) NPY5RALDH1A1HPGDLMNAMAPK1
SCHEMBL21758256 0.93 ALDH1A1 (0.37) NPY5RALDH1A1HPGDLMNAMAPK1
SCHEMBL21758602 0.93 AR (0.36) NPY5RALDH1A1HPGDLMNAMAPK1
SCHEMBL21758575 0.92 SLC22A12 (0.35) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL21758622 0.91 SLC22A12 (0.37) NPY5RSLC22A12CYP11B2CYP11B1NCOA3
SCHEMBL21758257 0.91 ABL1 (0.34) NPY5RALDH1A1HPGDLMNAMAPK1
SCHEMBL21758246 0.91 ABL1 (0.33) NPY5RALDH1A1HPGDLMNAMAPK1
SCHEMBL21758245 0.90 ALDH1A1 (0.39) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL21758611 0.90 AR (0.38) NPY5RALDH1A1HPGDLMNAMAPK1
SCHEMBL21758554 0.89 NCOA3 (0.38) ALDH1A1HPGDLMNAMAPK1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-27 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 (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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 NPY5R 189/4885PIK3CD 4835/4885PIK3CA 4758/4885

“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.