SCHEMBL21758576

SCHEMBL21758576

Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C#N)c(-c2cnccc2-n2c3ccc(C)cc3c3cc(C)ccc32)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.35
ACHE P22303 2/20 0.34
SLC22A12 Q96S37 3/20 0.32
NT5E P21589 1/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH1 P35367 1/20 0.31
HTR6 P50406 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
CYP19A1 P11511 1/20 0.31
LRRK2 Q5S007 1/20 0.31
ABL1 P00519 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PDE5A O76074 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL21758575 0.95 SLC22A12 (0.35) ELANEACHESLC22A12LMNAHPGD
SCHEMBL21758264 0.90 ABL1 (0.37) ELANESLC22A12ABL1PDE3BPDE3A
SCHEMBL21758249 0.87 ABL1 (0.36) ELANESLC22A12LMNAHPGDALDH1A1
SCHEMBL21758557 0.87 CHUK (0.40) SLC22A12CYP19A1
SCHEMBL21758599 0.87 NPY5R (0.34) SLC22A12LMNAHPGDALDH1A1MAPK1
SCHEMBL21758262 0.87 GABRA1 (0.36) SLC22A12ALDH1A1MAPK1SMN1; SMN2CYP19A1
SCHEMBL21758554 0.86 NCOA3 (0.38) SLC22A12LMNAHPGDALDH1A1MAPK1
SCHEMBL21758551 0.86 NCOA3 (0.38) SLC22A12LMNAHPGDALDH1A1MAPK1
SCHEMBL19954134 0.85 ALDH1A1 (0.37) NT5ELMNAHPGDALDH1A1MAPK1
SCHEMBL21396948 0.85 NCOA3 (0.40) SLC22A12LMNAHPGDALDH1A1MAPK1

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 ELANE 2984/4885ACHE 2641/4885SLC22A12 2205/4885

“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.