SCHEMBL369000

SCHEMBL369000

COCCOCCOc1cc(I)c(OCCOCCOC)cc1I

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 8/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.36
NPC1 O15118 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
AR P10275 1/20 0.35
KDM4E B2RXH2 4/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.34
PLAU P00749 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL2021642 1.00 L3MBTL1 (0.40) L3MBTL1ALDH1A1POLBMAPTTDP1
SCHEMBL13868968 0.83 MAPT (0.39) L3MBTL1ALDH1A1POLBMAPTTDP1
SCHEMBL28718568 0.82 ALDH1A1 (0.39) L3MBTL1ALDH1A1POLBMAPTTDP1
SCHEMBL14870995 0.79 L3MBTL1 (0.51) L3MBTL1ALDH1A1POLBMAPTTDP1
SCHEMBL13882478 0.79 KMT2A (0.46) L3MBTL1ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL30148118 0.79 L3MBTL1 (0.51) L3MBTL1ALDH1A1POLBMAPTTDP1
SCHEMBL13868967 0.79 KDM4E (0.39) L3MBTL1MAPTTDP1KDM4E
SCHEMBL13868964 0.79 KMT2A (0.46) L3MBTL1ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL797140 0.79 L3MBTL1 (0.49) L3MBTL1ALDH1A1POLBMAPTTDP1
SCHEMBL6739587 0.78 KDM1A (0.43) L3MBTL1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10750746-B2 Structure, synthesis, and applications for poly (phenylene) ethynylenes (PPEs) UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2020-08-25 US disclosed
US-20190116797-A1 STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR POLY(PHENYLENE ETHYNYLENES) (PPEs) UNIV FLORIDA (US) 2019-04-25 US disclosed
US-10174042-B2 Structure, synthesis, and applications for poly (phenylene) ethynylenes (PPEs) STC.UNM (US) 2019-01-08 US disclosed
US-20170057970-A1 STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR POLY (PHENYLENE) ETHYNYLENES (PPEs) WHITTEN DAVID G (US) 2017-03-02 US disclosed
US-9527806-B2 Structure, synthesis, and applications for poly (phenylene) ethynylenes (PPEs) STC.UNM (US) 2016-12-27 US disclosed
US-20150031138-A1 EMISSIVE COMPOSITIONS WITH INTERNAL STANDARD AND RELATED TECHNIQUES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-01-29 US disclosed
US-8802447-B2 Emissive compositions with internal standard and related techniques MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-08-12 US disclosed
US-20130210828-A1 STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR POLY (PHENYLENE) ETHYNYLENES (PPEs) UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2013-08-15 US disclosed
WO-2012009484-A2 STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR POLY (PHENYLENE) ETHYNYLENES (PPES) STC.UNM (US) 2012-01-19 WO disclosed
US-20080085566-A1 Emissive compositions with internal standard and related techniques MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-04-10 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 (5 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-10174042-B2 Structure, synthesis, and applications for poly (phenylene) ethynylenes (PPEs) PGLS, POLI, PARN L3MBTL1 3305/4885ALDH1A1 3189/4885POLB 213/4885
US-20130210828-A1 STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR POLY (PHENYLENE) ETHYNYLENES (PPEs) PGLS, POLI, PARN L3MBTL1 3305/4885ALDH1A1 3189/4885POLB 213/4885
US-20190116797-A1 STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR POLY(PHENYLENE ETHYNYLENES) (PPEs) PGLS, POLI, PARN L3MBTL1 3315/4885ALDH1A1 3195/4885POLB 207/4885
US-20170057970-A1 STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR POLY (PHENYLENE) ETHYNYLENES (PPEs) PGLS, POLI, PARN L3MBTL1 3305/4885ALDH1A1 3189/4885POLB 213/4885
US-10750746-B2 Structure, synthesis, and applications for poly (phenylene) ethynylenes (PPEs) PGLS, POLI, PARN L3MBTL1 3305/4885ALDH1A1 3189/4885POLB 213/4885

“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.