SCHEMBL6770519

SCHEMBL6770519

Cc1cc(C(=O)/C=C/c2cccc(OCc3ccccc3)c2)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 2/20 0.58
▸ CYSLTR1 Q9Y271 2/20 0.58
▸ ALDH1A1 P00352 3/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ BACE1 P56817 1/20 0.56
▸ MAOA P21397 5/20 0.54
▸ MAOB P27338 4/20 0.54
▸ TLR4 O00206 2/20 0.54
▸ TLR2 O60603 2/20 0.54
▸ COMT P21964 1/20 0.52
▸ APP P05067 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ LCK P06239 1/20 0.48
▸ SLC5A1 P13866 1/20 0.47
▸ SLC5A2 P31639 1/20 0.47
▸ CCNB2 O95067 1/20 0.47
▸ CDK1 P06493 1/20 0.47

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
SCHEMBL6770521 1.00 CYSLTR2 (0.58) CYSLTR2CYSLTR1ALDH1A1KDM4EPKM
SCHEMBL6770302 0.91 APP (0.61) KDM4EBACE1MAOBAPPSMN1; SMN2
SCHEMBL6770296 0.91 APP (0.61) KDM4EBACE1MAOBAPPSMN1; SMN2
SCHEMBL6772371 0.86 CTSV (0.50) ALDH1A1KDM4EBACE1APPLMNA
SCHEMBL6772382 0.86 CTSV (0.50) ALDH1A1KDM4EBACE1APPLMNA
SCHEMBL6770151 0.86 BACE1 (0.48) ALDH1A1KDM4EBACE1MAOAMAOB
SCHEMBL6770154 0.86 BACE1 (0.48) ALDH1A1KDM4EBACE1MAOAMAOB
SCHEMBL6771112 0.85 BACE1 (0.55) KDM4EBACE1APPSMN1; SMN2SLC5A1
SCHEMBL6771118 0.85 BACE1 (0.55) KDM4EBACE1APPSMN1; SMN2SLC5A1
SCHEMBL6776282 0.84 BACE1 (0.47) ALDH1A1KDM4EBACE1MAOAMAOB

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-6683095-B2 ANTICARCINOGENIC AGENTS; ANTIPROLIFERATION AGENTS LG LIFE SCIENCES LTD. (KR) 2004-01-27 — — US disclosed
US-20030125356-A1 Cdk inhibitors having 3-hydroxychromen-4-one structure LG LIFE SCIENCES LTD. (KR) 2003-07-03 — — 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-20030125356-A1 Cdk inhibitors having 3-hydroxychromen-4-one structure CDK4, CDK3, CDK6 CYSLTR2 2752/4885CYSLTR1 1974/4885ALDH1A1 1157/4885

“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.

Send feedback