SCHEMBL6802224

SCHEMBL6802224

COCc1cccc(C2COCC(C(C)=O)O2)c1COC

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.32
P2RX7 Q99572 1/20 0.32
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
CHRM2 P08172 2/20 0.30
CHRM4 P08173 2/20 0.30
CHRM5 P08912 2/20 0.30
CHRM1 P11229 2/20 0.30
CHRM3 P20309 2/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PRKCE Q02156 1/20 0.30

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
SCHEMBL6801595 0.92 CHRM2 (0.32) ADRA1AP2RX7HTR7HTR2BCHRM2
SCHEMBL6796493 0.77 ADRA1A (0.36) ADRA1A
SCHEMBL11519816 0.71 CHRM2 (0.48) ADRA1ACHRM2CHRM4CHRM5CHRM1
SCHEMBL6800338 0.68 FFAR1 (0.36) ADRA1ACHRM2CHRM4CHRM5CHRM1
SCHEMBL4962884 0.65 PDK2 (0.39) ADRA1AHTR2BPRKCE
SCHEMBL14945593 0.64 ADRA1A (0.48) ADRA1AHTR2B
SCHEMBL6794782 0.64 ADRA1A (0.42) ADRA1A
SCHEMBL28649448 0.61 ALDH1A1 (0.46) ADRA1ACYP2C19HSD17B10
SCHEMBL1835122 0.61 PRKCE (0.42) HSD17B10PRKCE
SCHEMBL8216183 0.60 PDK2 (0.42) ADRA1AHTR2BPRKCE

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 ADRA1A 920/4885P2RX7 199/4885HTR7 418/4885

“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.