SCHEMBL17030888

SCHEMBL17030888

C=C(/C=C1Cc2cc(C(C)(C)C)cc(c2OCCC)Cc2cc(C(C)(C)C)cc(c2OCCC)Cc2cc(C(C)(C)C)cc(c2OP(c2ccccc2)c2ccccc2)C/C=C/1OCCC)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 4/20 0.36
▸ CD14 P08571 4/20 0.36
▸ LY96 Q9Y6Y9 4/20 0.36
▸ ELANE P08246 1/20 0.35
▸ CD69 Q07108 1/20 0.35
▸ PTPRC P08575 2/20 0.33
▸ PTPN2 P17706 2/20 0.33
▸ PTPN1 P18031 2/20 0.33
▸ PTPRB P23467 2/20 0.33
▸ PTPN11 Q06124 2/20 0.33
▸ GSTA1 P08263 1/20 0.30
▸ GSTP1 P09211 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
SCHEMBL14617484 0.83 ELANE (0.46) TLR4CD14LY96ELANECD69
SCHEMBL14617495 0.70 ELANE (0.45) TLR4CD14LY96ELANECD69
SCHEMBL13987040 0.68 ELANE (0.58) TLR4CD14LY96ELANECD69
SCHEMBL17030882 0.65 ELANE (0.30) ELANECD69
SCHEMBL14224905 0.65 ELANE (0.31) ELANECD69
SCHEMBL14617494 0.65 PTPRC (0.57) TLR4CD14LY96ELANECD69
SCHEMBL14224919 0.64 ELANE (0.32) ELANECD69
SCHEMBL14617493 0.64 ELANE (0.53) TLR4CD14LY96ELANECD69
SCHEMBL16545626 0.64 CD69 (0.83) TLR4CD14LY96ELANECD69
SCHEMBL14593731 0.63 GSTA1 (0.38) TLR4CD14LY96PTPRCPTPN2

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 TLR4 4627/4885CD14 2366/4885LY96 1496/4885

“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.

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