SCHEMBL6802218

SCHEMBL6802218

COC1Oc2cc(C(C)=O)ccc2OC1(C)OC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
AKR1B1 P15121 1/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL6801592 0.89 TDP1 (0.40) KDM4EAKR1B1ALDH1A1TSHRRAB9A
SCHEMBL6796488 0.75 PGR (0.32) MAPT
SCHEMBL17567325 0.71 KDM4E (0.50) KDM4EAKR1B1MAPTNPC1RAB9A
SCHEMBL7153475 0.71 KDM4E (0.50) KDM4EMAPTALDH1A1TSHRNPC1
SCHEMBL9838859 0.69 KDM4E (0.42) KDM4EAKR1B1POLBAPEX1RECQL
SCHEMBL7151297 0.68 KDM4E (0.44) KDM4EAKR1B1MAPTALDH1A1TSHR
SCHEMBL7171872 0.68 KDM4E (0.50) KDM4EAKR1B1POLBAPEX1RECQL
SCHEMBL6802227 0.67 KDM4E (0.43) KDM4EAKR1B1POLBAPEX1RECQL
SCHEMBL7818102 0.67 KDM4E (0.40) KDM4EAKR1B1POLBAPEX1RECQL
SCHEMBL31085181 0.66 KDM4E (0.49) KDM4EAKR1B1MAPTALDH1A1NPC1

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-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 KDM4E 2246/4885AKR1B1 1407/4885POLB 3862/4885

“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.