SCHEMBL4039712

SCHEMBL4039712

Cc1cc(OCC=Cc2ccc(F)cc2)c(C)c(C)c1NC=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
NPC1 O15118 4/20 0.34
POLB P06746 2/20 0.34
NFE2L2 Q16236 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSL P07711 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
NQO2 P16083 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL4039706 1.00 ALOX5 (0.35) ALOX5PTGS1PTGS2NPC1POLB
SCHEMBL4041936 0.88 NPC1 (0.43) NPC1POLBMEN1KMT2A
SCHEMBL4041931 0.88 NPC1 (0.43) NPC1POLBMEN1KMT2A
SCHEMBL3597220 0.86 PTGS1 (0.37) PTGS1PTGS2NPC1POLBNFE2L2
SCHEMBL3597217 0.86 PTGS1 (0.37) PTGS1PTGS2NPC1POLBNFE2L2
SCHEMBL3597749 0.80 NPSR1 (0.36) ALOX5PTGS1PTGS2MEN1KMT2A
SCHEMBL3597746 0.80 NPSR1 (0.36) ALOX5PTGS1PTGS2MEN1KMT2A
SCHEMBL3601256 0.70 NPSR1 (0.34) PTGS2POLBMEN1KMT2ALMNA
SCHEMBL3601257 0.70 NPSR1 (0.34) PTGS2POLBMEN1KMT2ALMNA
SCHEMBL3612968 0.69 NMT1 (0.38) PTGS1POLBMEN1KMT2ATUBB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1323716-B1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS TAKEDA PHARMACEUTICAL (JP) 2009-01-14 EP disclosed
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2009-01-08 US disclosed
US-7456162-B2 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US disclosed
US-7101867-B2 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-05 US disclosed
US-20050187238-A1 Benzofuran derivatives, their production and use OHKAWA SHIGENORI (JP) 2005-08-25 US disclosed
EP-1136477-B1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-03-10 EP disclosed
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 US disclosed
EP-1323716-A1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS Takeda Chemical Industries, Ltd. (JP) 2003-07-02 EP disclosed
US-6479536-B1 Benzofuran derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-12 US disclosed
US-20020160996-A1 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-10-31 US disclosed
EP-1136477-A1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-26 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 (4 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-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO ALOX5 1602/4885PTGS1 808/4885PTGS2 1276/4885
US-20050187238-A1 Benzofuran derivatives, their production and use WDR1, WDR82, CBR1 ALOX5 1230/4885PTGS1 882/4885PTGS2 1047/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 ALOX5 2662/4885PTGS1 931/4885PTGS2 1348/4885
US-20020160996-A1 Benzofuran derivatives, their production and use PARK7, WDR1, WHR1 ALOX5 1581/4885PTGS1 894/4885PTGS2 1222/4885

“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.