SCHEMBL1597071

SCHEMBL1597071

Nc1ccc(C(c2ccc(N)c(F)c2)C(c2ccc(N)c(F)c2)c2ccc(N)c(F)c2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
FFAR4 Q5NUL3 1/20 0.34
SHBG P04278 1/20 0.33
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
HIF1A Q16665 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL21138713 0.83 ALDH1A1 (0.52) ALDH1A1CA12CA1CA2CA4
Hydrochloric Acid SCHEMBL30283024 0.81 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA4
SCHEMBL4826032 0.81 ALDH1A1 (0.52) ALDH1A1CA12CA1CA2CA4
SCHEMBL22326111 0.78 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA4
SCHEMBL18999717 0.78 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA4
SCHEMBL8282311 0.78 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA4
SCHEMBL8282821 0.76 ALDH1A1 (0.45) ALDH1A1CA12CA1CA2CA4
SCHEMBL29278560 0.76 ALDH1A1 (0.45) ALDH1A1CA12CA1CA2CA4
SCHEMBL6097165 0.76 ALDH1A1 (0.45) ALDH1A1CA12CA1CA2CA4
SCHEMBL20226510 0.74 ALDH1A1 (0.58) ALDH1A1CA12CA1CA2CA4

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 ALDH1A1 1999/4885CA12 4367/4885CA1 2814/4885

“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.