SCHEMBL6794906

SCHEMBL6794906

COCC1COc2ccc(C(C)=O)cc2O1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FFAR1 O14842 2/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 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
SCHEMBL5992714 0.95 KDM4E (0.48) MTNR1AKDM4EALDH1A1MAPTNPC1
SCHEMBL30640308 0.89 ALDH1A1 (0.49) MTNR1AALDH1A1FFAR1MAPK1
SCHEMBL30640313 0.89 ALDH1A1 (0.49) MTNR1AALDH1A1FFAR1MAPK1
SCHEMBL6800337 0.89 ALDH1A1 (0.49) MTNR1AALDH1A1FFAR1MAPK1
SCHEMBL24735866 0.88 MTNR1A (0.51) MTNR1AALDH1A1MAPTNPC1RAB9A
SCHEMBL30278166 0.88 MTNR1A (0.51) MTNR1AALDH1A1MAPTNPC1RAB9A
SCHEMBL20272350 0.85 KDM4E (0.51) MTNR1AKDM4EALDH1A1MAPTNPC1
SCHEMBL28714647 0.85 KDM4E (0.51) MTNR1AKDM4EALDH1A1MAPTNPC1
SCHEMBL29444747 0.85 KDM4E (0.51) MTNR1AKDM4EALDH1A1MAPTNPC1
SCHEMBL28708519 0.83 KDM4E (0.42) MTNR1AKDM4EALDH1A1MAPTNPC1

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 MTNR1A 2854/4885KDM4E 2246/4885ALDH1A1 2951/4885

“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.