SCHEMBL10135978

SCHEMBL10135978

CC(C)(C)c1cc(CCC(=O)OCCOC(=O)CCc2cc(-n3nc4ccccc4n3)c(O)c(C(C)(C)C)c2)cc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
GAA P10253 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
ACHE P22303 1/20 0.39
APP P05067 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
AGTR1 P30556 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL16623979 0.97 ALOX5 (0.42) ALOX5GAATDP1KMT2AMEN1
SCHEMBL104649 0.97 ALOX5 (0.42) ALOX5GAATDP1KMT2AMEN1
SCHEMBL100357 0.97 ALOX5 (0.42) ALOX5GAATDP1KMT2AMEN1
SCHEMBL672759 0.96 ALOX5 (0.41) ALOX5GAATDP1KMT2AMEN1
SCHEMBL5845031 0.96 ALOX5 (0.41) ALOX5GAATDP1KMT2AMEN1
SCHEMBL3070560 0.96 ALOX5 (0.41) ALOX5GAATDP1KMT2AMEN1
SCHEMBL31361790 0.96 ALOX5 (0.41) ALOX5GAATDP1KMT2AMEN1
SCHEMBL101181 0.96 ALOX5 (0.43) ALOX5GAATDP1KMT2AMEN1
SCHEMBL14788392 0.96 ALOX5 (0.41) ALOX5GAATDP1KMT2AMEN1
SCHEMBL14413560 0.95 ALOX5 (0.43) ALOX5GAATDP1KMT2AMEN1

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-20170158862-A1 OPTICAL FIBER COATING AND COMPOSITION WITH UV-ABSORBING ADDITIVE CORNING INCORPORATED 2017-06-08 US disclosed
US-9545042-B2 P-static charge drain layer including carbon nanotubes PPG INDUSTRIES OHIO, INC. (US) 2017-01-10 US disclosed
US-9232785-B2 Method for reducing sunburn damage in plants BASF SE (DE) 2016-01-12 US disclosed
US-9181451-B2 Formable aminoplast resin-based coating compositions SDC TECHNOLOGIES, INC. (US) 2015-11-10 US disclosed
US-20150264845-A1 P-STATIC CHARGE DRAIN LAYER INCLUDING CARBON NANOTUBES PPG INDUSTRIES OHIO, INC. 2015-09-17 US disclosed
US-20150064457-A1 FORMABLE AMINOPLAST RESIN-BASED COATING COMPOSITIONS SDC TECHNOLOGIES, INC. (US) 2015-03-05 US disclosed
US-8748347-B2 Method for combating harmful fungi BASF SE (DE) 2014-06-10 US disclosed
US-20120083497-A1 Method for Combating Harmful Fungi BASF SE (DE) 2012-04-05 US disclosed
US-20120017503-A1 METHOD FOR REDUCING SUNBURN DAMAGE IN PLANTS BASF SE (DE) 2012-01-26 US disclosed
US-8030430-B2 Oligimer comprised of polyfunctional isocyanate, polyol, perfluorocarbon derivatized monoalcohol and amine functionalized silanetriol combined with photostabilizer; durability, weatherability; uniform oil and water repellency 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-10-04 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 (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-20120017503-A1 METHOD FOR REDUCING SUNBURN DAMAGE IN PLANTS UNG, ERCC5, ERCC4 ALOX5 411/4885GAA 130/4885TDP1 1081/4885
US-20120083497-A1 Method for Combating Harmful Fungi BROX, CRY1, GUSB ALOX5 1230/4885GAA 105/4885TDP1 1494/4885

“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.