Graveolinine

Graveolinine

SCHEMBL25286396

COc1cc(-c2ccc3c(c2)OCO3)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.66
ALDH1A1 P00352 5/20 0.66
MAPT P10636 5/20 0.66
HPGD P15428 4/20 0.66
HSD17B10 Q99714 4/20 0.66
GAA P10253 3/20 0.66
MEN1 O00255 3/20 0.66
MAPK1 P28482 3/20 0.66
KMT2A Q03164 3/20 0.66
TP53 P04637 2/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
TSHR P16473 2/20 0.66
CASP1 P29466 1/20 0.66
CASP7 P55210 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
LMNA P02545 6/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
DHODH Q02127 1/20 0.62
HTT P42858 1/20 0.61
NPC1 O15118 3/20 0.58

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
Graveolinine SCHEMBL29411843 1.00 KDM4E (0.66) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL5999873 0.80 TP53 (0.67) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL31134142 0.80 TP53 (0.67) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL955714 0.79 SMN1; SMN2 (1.00) KDM4EALDH1A1MAPTHPGDHSD17B10
Cusparine SCHEMBL952682 0.78 HTR2A (0.53) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL22074314 0.78 L3MBTL1 (0.56) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL3318529 0.77 KDM4E (0.64) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL3228525 0.77 TP53 (1.00) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL6001387 0.76 ALDH1A1 (0.51) KDM4EALDH1A1MAPTHPGDHSD17B10
Hydrochloric Acid SCHEMBL3316173 0.76 KDM4E (0.62) KDM4EALDH1A1MAPTHPGDHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002348-A1 QUINOLONE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860) (IN) 2024-01-04 US disclosed
EP-4204410-A1 QUINOLONE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF Council of Scientific & Industrial Research, an Indian registered body incorporated under the Registration of Societies Act (Act XXI of 1860) (IN) 2023-07-05 EP disclosed
CN-115968368-A Quinolone compound and preparation method thereof 科学和工业研究理事会是印度注册的机构(1860年第XXI号法案) 2023-04-14 CN disclosed
WO-2022044033-A1 QUINOLONE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860)) (IN) 2022-03-03 WO 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-20240002348-A1 QUINOLONE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF SQLE, NQO2, CYP1B1 KDM4E 112/4885ALDH1A1 1226/4885MAPT 4715/4885

“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.