SCHEMBL14489702

SCHEMBL14489702

CCCOc1cc(C)cc(OCCC)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.49
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
LTA4H P09960 1/20 0.42
PLA2G2A P14555 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL9123683 0.95 ELANE (0.49) ELANETP53ALOX15LTA4HPTGS1
Ammonia Solution, Strong SCHEMBL9119760 0.93 ELANE (0.47) ELANETP53ALOX15LTA4HPTGS1
SCHEMBL13095984 0.91 AHR (0.46) ELANETP53ALOX15LTA4HPLA2G2A
SCHEMBL91974 0.89 LTA4H (0.48) ELANELTA4HPLA2G2APTGS1PTGS2
SCHEMBL14331832 0.88 PLA2G2A (0.48) TP53ALOX15LTA4HPLA2G2AALDH1A1
SCHEMBL21388518 0.86 PLA2G2A (0.56) TP53ALOX15LTA4HPLA2G2AALDH1A1
SCHEMBL17204428 0.85 ELANE (0.54) ELANETP53ALOX15LTA4HPTGS1
SCHEMBL17204426 0.85 ELANE (0.46) ELANETP53ALOX15LTA4HPLA2G2A
SCHEMBL19121172 0.85 ELANE (0.43) ELANETP53ALOX15LTA4HPTGS1
SCHEMBL12440948 0.85 ELANE (0.43) ELANETP53ALOX15LTA4HPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9048436-B2 Oxadiazole derivative, and light emitting element, light emitting device, and electronic device using the oxadiazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-06-02 US disclosed
US-20140299822-A1 Oxadiazole Derivative, and Light Emitting Element, Light Emitting Device, and Electronic Device Using the Oxadiazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-10-09 US disclosed
US-20130200344-A1 Oxadiazole Derivative, and Light Emitting Element, Light Emitting Device, and Electronic Device Using the Oxadiazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-08-08 US disclosed
US-8389735-B2 Oxadiazole derivative, and light emitting element, light emitting device, and electronic device using the oxadiazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-03-05 US disclosed
US-20070149784-A1 Oxadiazole derivative, and light emitting element, light emitting device, and electronic device using the oxadiazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2007-06-28 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 (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-20070149784-A1 Oxadiazole derivative, and light emitting element, light emitting device, and electronic device using the oxadiazole derivative OXA1L, ADRA1D, CRY1 ELANE 1857/4885TP53 4555/4885ALOX15 860/4885

“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.