SCHEMBL101242

SCHEMBL101242

CC(C)(C)c1cc(CCC(=O)OCCOCCOCCOCCOCCOCCO)cc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
GAA P10253 4/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
MAOB P27338 3/20 0.37
MAOA P21397 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
ACHE P22303 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
AGTR1 P30556 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
APP P05067 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL2556099 1.00 ALOX5 (0.39) ALOX5GAAKMT2AMEN1MAOB
SCHEMBL16623980 1.00 ALOX5 (0.39) ALOX5GAAKMT2AMEN1MAOB
SCHEMBL2549825 1.00 ALOX5 (0.39) ALOX5GAAKMT2AMEN1MAOB
SCHEMBL2549452 1.00 ALOX5 (0.39) ALOX5GAAKMT2AMEN1MAOB
SCHEMBL100357 0.96 ALOX5 (0.42) ALOX5GAAKMT2AMEN1MAOB
SCHEMBL16623979 0.96 ALOX5 (0.42) ALOX5GAAKMT2AMEN1MAOB
SCHEMBL3070560 0.95 ALOX5 (0.41) ALOX5GAAKMT2AMEN1MAOB
SCHEMBL2066128 0.94 ALOX5 (0.38) ALOX5GAAKMT2AMEN1MAOB
SCHEMBL14413560 0.94 ALOX5 (0.43) ALOX5GAAKMT2AMEN1MAOB
SCHEMBL10135978 0.93 ALOX5 (0.44) ALOX5GAAKMT2AMEN1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896601-B2 Dirt pick-up resistant silicone compositions Gaco Western, LLC (US) 2018-02-20 US disclosed
US-20180016404-A1 SILICONE MEMBRANES AMRIZE TECHNOLOGY SWITZERLAND LLC (CH) 2018-01-18 US disclosed
US-20120058974-A1 Composition comprising pesticide and benzotriazole UV absorbers BASF SE (DE) 2012-03-08 US disclosed
US-20110237665-A1 Agrochemical Composition Comprising Pesticide and UV Absorber BASF SE (DE) 2011-09-29 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-20110237665-A1 Agrochemical Composition Comprising Pesticide and UV Absorber DDT, CRY1, STOM ALOX5 2391/4885GAA 306/4885KMT2A 2940/4885
US-20120058974-A1 Composition comprising pesticide and benzotriazole UV absorbers DDT, CRY1, PAH ALOX5 3015/4885GAA 399/4885KMT2A 1129/4885

“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.