SCHEMBL17030890

SCHEMBL17030890

C/C(=C\C1=C(\O)CCc2cc(C(C)(C)C)cc(c2O)Cc2cc(C(C)(C)C)cc(c2O)Cc2cc(C(C)(C)C)cc(c2O)C1)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.33
▸ CD69 Q07108 1/20 0.33
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 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
SCHEMBL14224918 0.81 ELANE (0.34) ELANECD69
SCHEMBL17030892 0.79 ELANE (0.34) ELANECD69
SCHEMBL9910710 0.76 GABRA1 (0.50) ELANECD69GABRA1GABRB2
SCHEMBL30547266 0.76 GABRA1 (0.50) ELANECD69GABRA1GABRB2
SCHEMBL29517201 0.76 GABRA1 (0.50) ELANECD69GABRA1GABRB2
SCHEMBL29945572 0.76 GABRA1 (0.50) ELANECD69GABRA1GABRB2
SCHEMBL2471228 0.76 GABRA1 (0.50) ELANECD69GABRA1GABRB2
SCHEMBL13620669 0.76 GABRA1 (0.50) ELANECD69GABRA1GABRB2
Carbon Dioxide SCHEMBL30318039 0.69 CD69 (0.46) ELANECD69GABRA1GABRB2
SCHEMBL12201108 0.69 GABRA1 (0.43) ELANECD69GABRA1GABRB2

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-9295983-B2 Calixarene-bound iridium-containing metal colloids THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-03-29 — — US disclosed
US-20150238949-A1 CALIXARENE-BOUND IRIDIUM-CONTAINING METAL COLLOIDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-08-27 — — 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-20150238949-A1 CALIXARENE-BOUND IRIDIUM-CONTAINING METAL COLLOIDS CALR, CALD1, CALU ELANE 482/4885CD69 2506/4885GABRA1 2946/4885

“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.

Send feedback