SCHEMBL6801595

SCHEMBL6801595

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

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.32
CHRM5 P08912 4/20 0.32
CHRM1 P11229 4/20 0.32
CHRM4 P08173 3/20 0.32
CHRM3 P20309 3/20 0.32
ADRA1A P35348 3/20 0.32
P2RX7 Q99572 1/20 0.31
P2RX3 P56373 2/20 0.31
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6802224 0.92 ADRA1A (0.32) CHRM2CHRM5CHRM1CHRM4CHRM3
SCHEMBL6800338 0.77 FFAR1 (0.36) CHRM2CHRM5CHRM1CHRM4CHRM3
SCHEMBL6796493 0.76 ADRA1A (0.36) ADRA1A
SCHEMBL11519816 0.65 CHRM2 (0.48) CHRM2CHRM5CHRM1CHRM4CHRM3
SCHEMBL4962884 0.64 PDK2 (0.39) ADRA1AHTR2BMEN1ALDH1A1HTT
SCHEMBL14945593 0.64 ADRA1A (0.48) ADRA1AP2RX3HTR2BMEN1ALDH1A1
SCHEMBL6794782 0.63 ADRA1A (0.42) ADRA1AP2RX3
SCHEMBL16245168 0.60 L3MBTL1 (0.47) ALDH1A1HTT
SCHEMBL9449419 0.60 FABP5 (0.41) P2RX3HTR7HTR2BALDH1A1
SCHEMBL11758691 0.60 SUCNR1 (0.38)

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 CHRM2 4011/4885CHRM5 3446/4885CHRM1 3880/4885

“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.