SCHEMBL14617494

SCHEMBL14617494

CCCOc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCCC)Cc1cc(C(C)(C)C)cc(c1OCCC)Cc1cc(C(C)(C)C)cc(c1O)C2

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 4/20 0.57
PTPN2 P17706 4/20 0.57
PTPN1 P18031 4/20 0.57
PTPRB P23467 4/20 0.57
PTPN11 Q06124 4/20 0.57
ELANE P08246 1/20 0.55
CD69 Q07108 1/20 0.55
TLR4 O00206 6/20 0.55
CD14 P08571 6/20 0.55
LY96 Q9Y6Y9 6/20 0.55
GSTA1 P08263 6/20 0.49
GSTP1 P09211 6/20 0.49
PTGS1 P23219 1/20 0.36
RARG P13631 1/20 0.36
RXRA P19793 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL14617492 0.92 TLR4 (0.57) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL13987040 0.92 ELANE (0.58) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL14617493 0.86 ELANE (0.53) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL30388098 0.84 ELANE (0.51) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL9133484 0.83 PTPRC (0.44) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL14159148 0.83 PTPRC (0.43) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL16545623 0.82 CD69 (0.65) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL16545609 0.82 TLR4 (0.53) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL16545626 0.82 CD69 (0.83) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL13987036 0.82 GSTA1 (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150064455-A1 MATERIALS COATED WITH CALIXARENES UNIVERSITÉ PARIS CITÉ (FR) 2015-03-05 US disclosed
US-8969607-B2 Calixarene-bound iridium-containing metal colloids THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-03 US disclosed
US-20130018199-A1 CALIXARENE-BOUND IRIDIUM-CONTAINING METAL COLLOIDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2013-01-17 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 (2 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-20130018199-A1 CALIXARENE-BOUND IRIDIUM-CONTAINING METAL COLLOIDS CALR, CALD1, CALU PTPRC 442/4885PTPN2 3451/4885PTPN1 3510/4885
US-20150064455-A1 MATERIALS COATED WITH CALIXARENES CALD1, CALU, CALR PTPRC 117/4885PTPN2 2132/4885PTPN1 2030/4885

“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.