SCHEMBL6794902

SCHEMBL6794902

COCc1cccc(CC2COCC(CC(=O)CC3COCC(c4cccc(COC)c4)O3)O2)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.36
ADRA1A P35348 4/20 0.36
CHRM2 P08172 8/20 0.36
CHRM5 P08912 6/20 0.36
CHRM1 P11229 5/20 0.36
CHRM4 P08173 4/20 0.36
CHRM3 P20309 4/20 0.36
ADRA1D P25100 4/20 0.35
ADRA1B P35368 2/20 0.35
SGPL1 O95470 1/20 0.33
S1PR1 P21453 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
SCHEMBL6800338 0.77 FFAR1 (0.36) HTR1AADRA1ACHRM2CHRM5CHRM1
SCHEMBL6312002 0.68 CHRM2 (0.34) HTR1AADRA1ACHRM2CHRM5CHRM1
SCHEMBL8938553 0.65 SLC6A2 (0.44)
SCHEMBL487468 0.61 IDO1 (0.48)
SCHEMBL19101551 0.61 TSHR (0.47) HTR1AADRA1ACHRM2CHRM5CHRM1
SCHEMBL6197809 0.59 CHRNB4 (0.39) HTR1AADRA1ACHRM2CHRM5CHRM1
SCHEMBL1552525 0.59 ADRA2C (0.47) HTR1AADRA1A
SCHEMBL1552526 0.59 ADRA2C (0.47) HTR1AADRA1A
SCHEMBL6600049 0.58 SLC7A5 (0.45)
SCHEMBL801397 0.58 ALDH1A1 (0.63)

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 HTR1A 985/4885ADRA1A 920/4885CHRM2 4011/4885

“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.