SCHEMBL14465626

SCHEMBL14465626

Cc1cc(OCC(C)C)cc(OCC(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 5/20 0.38
GAA P10253 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
MAOA P21397 1/20 0.37
TRIM24 O15164 1/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 3/20 0.37
POLB P06746 2/20 0.37
XBP1 P17861 1/20 0.37
THRB P10828 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
TSHR P16473 2/20 0.36
PLA2G7 Q13093 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 2/20 0.35

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
SCHEMBL13678471 0.90 RARA (0.44) KMT2AALDH1A1GAAADRB2ADRB1
SCHEMBL17204240 0.86 ALDH1A1 (0.44) KMT2AALDH1A1ADRB2ADRB1MAPT
SCHEMBL17204239 0.86 KMT2A (0.36) KMT2AALDH1A1GAAADRB2ADRB1
SCHEMBL17662615 0.86 FFAR4 (0.40) KMT2AALDH1A1GAAADRB2ADRB1
SCHEMBL16952680 0.86 KMT2A (0.36) KMT2AALDH1A1GAAADRB2ADRB1
SCHEMBL16958080 0.82 POLB (0.37) KMT2AADRB2ADRB1MAPTHPGD
SCHEMBL16962138 0.81 KMT2A (0.36) KMT2AALDH1A1ADRB2ADRB1MAOA
SCHEMBL29952183 0.81 KMT2A (0.36) KMT2AALDH1A1GAAADRB2ADRB1
SCHEMBL16951236 0.81 HPGD (0.33) KMT2AALDH1A1ADRB2ADRB1MAOA
SCHEMBL13678481 0.80 MAPT (0.44) ALDH1A1MAPTPOLBTSHRHTT

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-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
WO-2007074893-A1 OXADIAZOLE DERIVATIVE, AND LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, AND ELECTRONIC DEVICE USING THE OXADIAZOLE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-07-05 WO 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 KMT2A 3127/4885ALDH1A1 41/4885GAA 3450/4885

“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.