SCHEMBL1743723

SCHEMBL1743723

COC(=O)c1ccc(OCCCCCBr)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
PRSS1 P07477 4/20 0.57
SMPD1 P17405 4/20 0.53
MGLL Q99685 1/20 0.53
TSHR P16473 1/20 0.52
KMT2A Q03164 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
MAOB P27338 1/20 0.50
HSP90AA1 P07900 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL787576 0.99 MAPT (0.59) MAPTPRSS1SMPD1MGLLTSHR
SCHEMBL4376688 0.96 MAPT (0.59) MAPTPRSS1SMPD1MGLLTSHR
SCHEMBL5767014 0.94 MAPT (0.64) MAPTPRSS1SMPD1MGLLTSHR
SCHEMBL30506582 0.93 MAPT (0.59) MAPTPRSS1SMPD1MGLLTSHR
SCHEMBL25293543 0.93 MAPT (0.59) MAPTPRSS1SMPD1MGLLTSHR
SCHEMBL2591943 0.91 MAPT (0.60) MAPTPRSS1MGLLTSHRKMT2A
SCHEMBL14705177 0.90 MAPT (0.59) MAPTPRSS1SMPD1MGLLTSHR
SCHEMBL2149738 0.90 MAPT (0.66) MAPTPRSS1SMPD1MGLLTSHR
SCHEMBL9307505 0.89 SMPD1 (0.67) MAPTPRSS1SMPD1MGLLTSHR
SCHEMBL14930509 0.89 SMPD1 (0.67) MAPTPRSS1SMPD1MGLLTSHR

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017205661-A1 METHOD OF TREATING CANCER BY TARGETING MYELOID-DERIVED SUPPRESSOR CELLS PURDUE RESEARCH FOUNDATION (US) 2017-11-30 WO disclosed
US-20170266303-A1 METHODS OF TREATING CANCER BY TARGETING TUMOR-ASSOCIATED MACROPHAGES PURDUE RESEARCH FOUNDATION 2017-09-21 US disclosed
US-20170266303-A1 METHODS OF TREATING CANCER BY TARGETING TUMOR-ASSOCIATED MACROPHAGES PURDUE RESEARCH FOUNDATION 2017-09-21 US disclosed
WO-2016148674-A1 CONJUGATES FOR TREATING DISEASES ENDOCYTE, INC. (US) 2016-09-22 WO disclosed
WO-2016085967-A1 METHODS OF TREATING CANCER BY TARGETING TUMOR-ASSOCIATED MACROPHAGES ENDOCYTE, INC. (US) 2016-06-02 WO disclosed
EP-1981889-B1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI SA (FR) 2014-01-15 EP disclosed
US-8163736-B2 Cytotoxic agents comprising new tomaymycin derivatives SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
EP-2386559-A1 Cytotoxiv agents comprising new tomaymycin derivatives and their therapeutic use SANOFI (FR) 2011-11-16 EP disclosed
US-20110254808-A1 REFLECTIVE TOUCH DISPLAY PANEL AND MANUFACTURING METHOD THEREOF AU OPTRONICS CORPORATION (TW) 2011-10-20 US disclosed
EP-2371827-A1 Cytotoxic agents comprising new tomaymycin derivatives and their therapeutic use SANOFI (FR) 2011-10-05 EP disclosed
EP-1813614-B1 Cytotoxic agents comprising new tomaymycin derivatives SANOFI SA (FR) 2011-10-05 EP disclosed
US-20090036431-A1 Cytotoxic Agents Comprising New Tomaymycin Derivatives SANOFI-AVENTIS (FR) 2009-02-05 US disclosed
EP-1981889-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2008-10-22 EP disclosed
WO-2007085930-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-08-02 WO disclosed
EP-1813614-A1 Cytotoxic agents comprising new tomaymycin derivatives Sanofi-Aventis (FR) 2007-08-01 EP 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-20170266303-A1 METHODS OF TREATING CANCER BY TARGETING TUMOR-ASSOCIATED MACROPHAGES FOLR1, FOLR2, FOLH1 MAPT 3663/4885PRSS1 2636/4885SMPD1 1281/4885
US-20090036431-A1 Cytotoxic Agents Comprising New Tomaymycin Derivatives TOMM70, TOMM34, TOMM40 MAPT 3729/4885PRSS1 1709/4885SMPD1 1171/4885

“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.