SCHEMBL6029856

SCHEMBL6029856

CCCCCC=CCOc1ccc(C)cc1NC(=O)c1ccc(C(=O)Nc2cc(C)ccc2OCC=CCCCCC)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 14/20 0.52
PLK3 Q9H4B4 2/20 0.48
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.45
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45

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
SCHEMBL6029416 0.87 NR1I2 (0.48) KMT2AKDM4EALDH1A1HPGDMEN1
SCHEMBL6029183 0.85 GAA (0.59) PLK1GAAKMT2AALDH1A1MEN1
SCHEMBL9175687 0.74 MAPT (0.50) GAATDP1LMNAKMT2AMAPT
SCHEMBL7295416 0.74 ALDH1A1 (0.52) GAATDP1LMNAKMT2AMAPT
SCHEMBL14625062 0.70 GAA (0.59) PLK1GAATDP1L3MBTL1KMT2A
SCHEMBL10050568 0.70 MAPT (0.61) PLK1LMNAKMT2AMAPTMAPK1
SCHEMBL14363235 0.67 TP53 (0.81) GAALMNAKMT2AMAPTMAPK1
SCHEMBL7173303 0.67 MGLL (0.53) KMT2AMAPTMEN1
SCHEMBL9503223 0.67 PLK1 (0.58) PLK1LMNAKMT2AMAPTMAPK1
SCHEMBL10841313 0.67 SMPD1 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109376-B2 Benzene and naphthylene derivatives and their use as UV screening agents DSM IP ASSETS B.V. (NL) 2006-09-19 US disclosed
US-20060153784-A1 Novel 2-benzoxazolyl benzene derivatives and their use as UV screening agents HUBER ULRICH 2006-07-13 US disclosed
US-7019020-B2 2-benzoxazolyl benzene derivatives and their use as UV screening agents DSM IP ASSETS B.V. (NL) 2006-03-28 US disclosed
US-20040071640-A1 Novel-2-benzoxazolyl benzene derivatives and their use as uv screening agents DSM IP ASSETS B.V. (NL) 2004-04-15 US disclosed
EP-1358167-A1 NOVEL 2-BENZOXAZOLYL BENZENE DERIVATIVES AND THEIR USE AS UV SCREENING AGENTS Roche Vitamins AG (CH) 2003-11-05 EP disclosed
WO-2002062771-A1 NOVEL 2-BENZOXAZOLYL BENZENE DERIVATIVES AND THEIR USE AS UV SCREENING AGENTS ROCHE VITAMINS AG (CH) 2002-08-15 WO 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-20040071640-A1 Novel-2-benzoxazolyl benzene derivatives and their use as uv screening agents CBX8, XRCC5, CYP8B1 PLK1 2258/4885PLK3 2015/4885GAA 4461/4885
US-20060153784-A1 Novel 2-benzoxazolyl benzene derivatives and their use as UV screening agents POLR1C, CBR3, CBR1 PLK1 2749/4885PLK3 1736/4885GAA 4326/4885

“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.