SCHEMBL1596595

SCHEMBL1596595

Nc1c(-c2ccccc2)cc(C(c2cc(-c3ccccc3)c(N)c(-c3ccccc3)c2)C(c2cc(-c3ccccc3)c(N)c(-c3ccccc3)c2)c2cc(-c3ccccc3)c(N)c(-c3ccccc3)c2)cc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 3/20 0.44
BACE1 P56817 1/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
MAPT P10636 1/20 0.38
MAOA P21397 1/20 0.38
CYP3A4 P08684 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
IKBKE Q14164 1/20 0.37
PKMYT1 Q99640 1/20 0.37
TDO2 P48775 2/20 0.36
LMNA P02545 1/20 0.36
ALOX5 P09917 1/20 0.35

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
SCHEMBL1596044 0.86 CYP2A6 (0.42) HSD17B10ALDH1A1BACE1SMARCA2SMARCA4
SCHEMBL1596886 0.86 ESR2 (0.39) HSD17B10ALDH1A1BACE1SMARCA2SMARCA4
SCHEMBL1092800 0.83 METAP2 (0.50) HSD17B10ALDH1A1BACE1SMARCA2SMARCA4
SCHEMBL5016738 0.80 HSD17B10 (0.52) HSD17B10ALDH1A1BACE1SMARCA2SMARCA4
SCHEMBL1597730 0.78 ALDH1A1 (0.52) HSD17B10ALDH1A1BACE1SMARCA2SMARCA4
SCHEMBL24254882 0.78 HSD17B10 (0.50) HSD17B10ALDH1A1BACE1SMARCA2SMARCA4
SCHEMBL1638704 0.78 IKBKB (0.51) HSD17B10ALDH1A1BACE1SMARCA2SMARCA4
SCHEMBL1597113 0.77 BACE1 (0.52) HSD17B10ALDH1A1BACE1MAPTALOX5
SCHEMBL24254917 0.75 ALDH1A1 (0.52) HSD17B10ALDH1A1BACE1SMARCA2SMARCA4
SCHEMBL31243809 0.74 AKR1C3 (0.48) HSD17B10ALDH1A1BACE1SMARCA2SMARCA4

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-1780224-B1 MULTIBRANCHED POLYMERS AND PROCESS FOR PRODUCTION THEREOF NIPPON SODA CO (JP) 2015-02-18 EP disclosed
US-8710165-B2 Multibranched polymer and method for producing the same NIPPON SODA CO., LTD. (JP) 2014-04-29 US disclosed
US-20110152388-A1 Multibranched polymer and method for producing the same NIPPON SODA CO., LTD. (JP) 2011-06-23 US disclosed
US-7919570-B2 narrowly dispersed; controlled molecular weight; ionic conductivity, shape stability; battery adhesive or binder; 1,1,2,2-tetrakis(4-hydroxyphenyl)ethane or pentaerythritol reacted with bromoisobutyroyl bromide for core; living radical polymerization of acrylate or a styrene at halogen atoms as the arms NIPPON SODA CO., LTD. (JP) 2011-04-05 US disclosed
US-7601784-B2 1,1,2,2-tetrakis(4-hydroxyphenyl)ethane is used to molecular alignment, chemical stabilization, heat resist, flexiable and modification of the polyether having hydrogen bond sites; for waste water treatments, energy transducers, conductors NIPPON SODA CO., LTD. (JP) 2009-10-13 US disclosed
US-20080214685-A1 Multibrached Polymer and Method for Producing the Same NIPPON SODA CO., LTD. (JP) 2008-09-04 US disclosed
EP-1792947-A1 Molecular compound comprising polymer having hydrogen bond as component compound NIPPON SODA CO., LTD. (JP) 2007-06-06 EP disclosed
EP-1780224-A1 MULTIBRANCHED POLYMERS AND PROCESS FOR PRODUCTION THEREOF NIPPON SODA CO., LTD. (JP) 2007-05-02 EP disclosed
US-20050228167-A1 Molecular compounds containing polymers having hydrogen bond sites as the constituent compounds NIPPON SODA CO., LTD. (JP) 2005-10-13 US disclosed
US-20020193528-A1 Molecular compound comprising polymer having hydrogen bond as component compound NIPPON SODA CO., LTD. (JP) 2002-12-19 US disclosed
EP-1241230-A1 MOLECULAR COMPOUND COMPRISING POLYMER HAVING HYDROGEN BOND AS COMPONENT COMPOUND NIPPON SODA CO., LTD. (JP) 2002-09-18 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 (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-20020193528-A1 Molecular compound comprising polymer having hydrogen bond as component compound PIEZO1, PARN, PARG HSD17B10 3191/4885ALDH1A1 1999/4885BACE1 3210/4885

“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.