SCHEMBL6029183

SCHEMBL6029183

CCCCCC=CCOc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2OCC=CCCCCC)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
PLK1 P53350 1/20 0.49
CYSLTR2 Q9NS75 4/20 0.49
CYSLTR1 Q9Y271 4/20 0.49
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
AHR P35869 1/20 0.47
PTK2 Q05397 1/20 0.47

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
SCHEMBL6029856 0.85 PLK1 (0.52) GAAALDH1A1PLK1CYSLTR2CYSLTR1
SCHEMBL9175687 0.83 MAPT (0.50) GAAALDH1A1RAB9ANPC1CYSLTR2
SCHEMBL6029416 0.83 NR1I2 (0.48) ALDH1A1CYSLTR2CYSLTR1KMT2APOLB
SCHEMBL9254823 0.81 CYSLTR2 (0.52) GAAALDH1A1RAB9ANPC1PLK1
SCHEMBL10867011 0.77 CYSLTR2 (0.53) ALDH1A1RAB9ANPC1CYSLTR2CYSLTR1
SCHEMBL3656954 0.75 POLB (0.45) ALDH1A1RAB9ANPC1CYSLTR2CYSLTR1
SCHEMBL9570576 0.74 BRD4 (0.65) GAAALDH1A1RAB9ANPC1KMT2A
SCHEMBL31467959 0.74 GAA (0.80) GAAALDH1A1RAB9ANPC1KMT2A
SCHEMBL4629895 0.73 KMT2A (0.54) GAAALDH1A1NPC1CYSLTR2CYSLTR1
SCHEMBL9135676 0.73 PLK1 (0.57) RAB9ANPC1PLK1CYSLTR2CYSLTR1

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 GAA 4461/4885ALDH1A1 623/4885RAB9A 3805/4885
US-20060153784-A1 Novel 2-benzoxazolyl benzene derivatives and their use as UV screening agents POLR1C, CBR3, CBR1 GAA 4326/4885ALDH1A1 602/4885RAB9A 3525/4885

“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.