SCHEMBL6770402

SCHEMBL6770402

Cc1cc(C(=O)C=Cc2ccc([N+](=O)[O-])cc2)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.60
▸ MAOA P21397 4/20 0.60
▸ HSP90AA1 P07900 1/20 0.58
▸ NR2F2 P24468 1/20 0.58
▸ ADAM17 P78536 1/20 0.58
▸ MAPT P10636 3/20 0.58
▸ POLB P06746 1/20 0.58
▸ HSPD1 P10809 1/20 0.54
▸ HSPE1 P61604 1/20 0.54
▸ BCHE P06276 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ GPR35 Q9HC97 1/20 0.50
▸ KRAS P01116 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP1B1 Q16678 1/20 0.49
▸ PTGS2 P35354 1/20 0.49

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
SCHEMBL6770393 1.00 MAOB (0.60) MAOBMAOAHSP90AA1NR2F2ADAM17
SCHEMBL6771857 0.83 MAPT (0.47) MAOBMAOAHSP90AA1MAPTGPR35
SCHEMBL6771863 0.83 MAPT (0.47) MAOBMAOAHSP90AA1MAPTGPR35
SCHEMBL6767061 0.81 TUBB1 (0.56) MAOAHSP90AA1MAPTMEN1KMT2A
SCHEMBL6767057 0.81 TUBB1 (0.56) MAOAHSP90AA1MAPTMEN1KMT2A
SCHEMBL6770296 0.80 APP (0.61) MAOBMAPTMEN1KMT2A
SCHEMBL6770302 0.80 APP (0.61) MAOBMAPTMEN1KMT2A
SCHEMBL13450131 0.80 DBH (0.64) MAPTKRASALDH1A1LMNAPTGS2
SCHEMBL31406952 0.79 GPR35 (0.56) MAOBMAOAMAPTPOLBMEN1
SCHEMBL31406953 0.79 GPR35 (0.56) MAOBMAOAMAPTPOLBMEN1

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 MAOB 2802/4885MAOA 2677/4885HSP90AA1 1580/4885

“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.

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