SCHEMBL6800337

SCHEMBL6800337

COCC1COc2ccc(C(=O)O)cc2O1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
FFAR1 O14842 15/20 0.47
MTNR1A P48039 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
ALOX5 P09917 1/20 0.42
HTT P42858 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41

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
SCHEMBL30640308 1.00 ALDH1A1 (0.49) ALDH1A1MAPK1FFAR1MTNR1ATDP1
SCHEMBL30640313 1.00 ALDH1A1 (0.49) ALDH1A1MAPK1FFAR1MTNR1ATDP1
SCHEMBL6794906 0.89 MTNR1A (0.49) ALDH1A1MAPK1FFAR1MTNR1A
SCHEMBL30278166 0.88 MTNR1A (0.51) ALDH1A1MAPK1FFAR1MTNR1AALOX5
SCHEMBL24735866 0.88 MTNR1A (0.51) ALDH1A1MAPK1FFAR1MTNR1AALOX5
SCHEMBL5917897 0.85 ALDH1A1 (0.53) ALDH1A1MAPK1MTNR1ATDP1ALOX5
SCHEMBL5992714 0.84 KDM4E (0.48) ALDH1A1MAPK1MTNR1AALOX5
SCHEMBL5918015 0.83 F2 (0.55) FFAR1ALOX5
SCHEMBL5917872 0.83 F2 (0.55) FFAR1ALOX5
SCHEMBL16070939 0.83 HPGD (0.47) ALDH1A1MAPK1FFAR1MTNR1AALOX5

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
CN-112079830-B Inhibitor containing fused ring derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-22 CN disclosed
CN-112079830-A Fused ring-containing derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2020-12-15 CN disclosed
US-6835735-B2 Anticancer, tyrosine kinase inhibitors KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-12-28 US disclosed
US-20030045537-A1 4-(Phenylamino)-[1,4]dioxano[2,3-g]quinazoline derivatives and process for preparing the same KOREAN INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-03-06 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-20030045537-A1 4-(Phenylamino)-[1,4]dioxano[2,3-g]quinazoline derivatives and process for preparing the same EGFR, ERBB2, ERBB4 ALDH1A1 2951/4885MAPK1 343/4885FFAR1 2281/4885

“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.