SCHEMBL6822263

SCHEMBL6822263

CC(C)=CCCC(C)=CCc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.84
MGAM O43451 4/20 0.64
PDE5A O76074 1/20 0.61
GAA P10253 3/20 0.60
SI P14410 3/20 0.60
MGAM2 Q2M2H8 3/20 0.60
SMPD1 P17405 2/20 0.60
ALOX5 P09917 2/20 0.60
PTGES O14684 1/20 0.60
AKT1 P31749 1/20 0.58
AMY1A P0DUB6 1/20 0.56
PIM1 P11309 1/20 0.56
CD38 P28907 1/20 0.56
PTPN1 P18031 1/20 0.55
CYP19A1 P11511 2/20 0.54
PDE4D Q08499 1/20 0.53

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
SCHEMBL6822261 1.00 ABCG2 (0.84) ABCG2MGAMPDE5AGAASI
Macarangin SCHEMBL30234138 0.91 ABCG2 (1.00) ABCG2MGAMGAASIMGAM2
Macarangin SCHEMBL21065396 0.91 ABCG2 (1.00) ABCG2MGAMGAASIMGAM2
Gancaonin P SCHEMBL1170933 0.91 MGAM (0.76) ABCG2MGAMPDE5AGAASI
SCHEMBL6822763 0.90 PTPN1 (0.70) ABCG2MGAMGAASIMGAM2
SCHEMBL6822762 0.90 PTPN1 (0.70) ABCG2MGAMGAASIMGAM2
SCHEMBL18037681 0.87 MGAM (0.75) ABCG2MGAMGAASIMGAM2
SCHEMBL18037680 0.87 MGAM (0.75) ABCG2MGAMGAASIMGAM2
SCHEMBL24075660 0.83 MGAM (0.80) ABCG2MGAMPDE5AGAASI
SCHEMBL29833229 0.83 MGAM (0.80) ABCG2MGAMPDE5AGAASI

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
US-6737439-B2 ACTIVE CANCER CHEMOPREVENTATIVE AND TREATING AGENTS IN MAMMALS, INCLUDING HUMANS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2004-05-18 US claimed
US-20030125377-A1 Aromatase inhibitors from Broussonetia papyrifera BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS THE 2003-07-03 US claimed
US-6737439-B2 ACTIVE CANCER CHEMOPREVENTATIVE AND TREATING AGENTS IN MAMMALS, INCLUDING HUMANS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2004-05-18 US disclosed
US-20030125377-A1 Aromatase inhibitors from Broussonetia papyrifera BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS THE 2003-07-03 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-20030125377-A1 Aromatase inhibitors from Broussonetia papyrifera CYP19A1, HSD17B11, CYP17A1 ABCG2 873/4885MGAM 1782/4885PDE5A 414/4885

“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.