SCHEMBL17030889

SCHEMBL17030889

CCCO/C1=C(/C=C(\CC)C(C)(C)C)Cc2cc(C(C)(C)C)cc(c2OCCC)Cc2cc(C(C)(C)C)cc(c2OCCC)Cc2cc(C(C)(C)C)cc(c2O)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 4/20 0.42
▸ PTPN2 P17706 4/20 0.42
▸ PTPN1 P18031 4/20 0.42
▸ PTPRB P23467 4/20 0.42
▸ PTPN11 Q06124 4/20 0.42
▸ TLR4 O00206 4/20 0.39
▸ CD14 P08571 4/20 0.39
▸ LY96 Q9Y6Y9 4/20 0.39
▸ ELANE P08246 1/20 0.39
▸ CD69 Q07108 1/20 0.39
▸ GSTA1 P08263 6/20 0.38
▸ GSTP1 P09211 6/20 0.38
▸ CYP19A1 P11511 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
SCHEMBL17030886 0.98 PTPRC (0.42) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL17030887 0.84 TLR4 (0.36) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL17030885 0.83 ELANE (0.34) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL14617494 0.81 PTPRC (0.57) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL14617492 0.75 TLR4 (0.57) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL13987040 0.74 ELANE (0.58) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL14224918 0.71 ELANE (0.34) TLR4CD14LY96ELANECD69
SCHEMBL14617493 0.69 ELANE (0.53) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL30388098 0.68 ELANE (0.51) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL9133484 0.67 PTPRC (0.44) PTPRCPTPN2PTPN1PTPRBPTPN11

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 PTPRC 442/4885PTPN2 3451/4885PTPN1 3510/4885

“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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