SCHEMBL10035339

SCHEMBL10035339

CC(C)Oc1ccc(-c2nnc(-c3ccc(OC(C)C)cc3)n2-c2ccc(-c3cccnc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.47
GLA P06280 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HRH1 P35367 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CYP19A1 P11511 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
APP P05067 1/20 0.41
AVPR1A P37288 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL10035352 0.97 OXTR (0.51) OXTRGLAMEN1KMT2AMAPK1
SCHEMBL10035343 0.97 OXTR (0.51) OXTRGLAMEN1KMT2AMAPK1
SCHEMBL10035329 0.86 HPGD (0.51) OXTRGLAMEN1KMT2AMAPK1
SCHEMBL10035357 0.85 OXTR (0.64) OXTRGLAMEN1KMT2AMAPK1
SCHEMBL17223083 0.85 CYP2A6 (0.54) OXTRHPGDSMN1; SMN2ALDH1A1CYP19A1
SCHEMBL10035350 0.83 OXTR (0.69) OXTRGLAMEN1KMT2AMAPK1
SCHEMBL10035326 0.83 OXTR (0.69) OXTRGLAMEN1KMT2AMAPK1
SCHEMBL10035332 0.83 UCHL3 (0.47) OXTRGLAMEN1KMT2AMAPK1
SCHEMBL10035331 0.82 KDM4E (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1CYP19A1
SCHEMBL10035355 0.82 SMN1; SMN2 (0.55) OXTRGLAMEN1KMT2AMAPK1

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-8101771-B2 Triazole derivative, and light-emitting element, light-emitting device, and electronic device using triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-01-24 US disclosed
US-8101771-B2 Triazole derivative, and light-emitting element, light-emitting device, and electronic device using triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-01-24 US disclosed
US-20100079066-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-04-01 US disclosed
US-20100079066-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-04-01 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-20100079066-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Triazole Derivative TTI1, TTI2, NLRP3 OXTR 3599/4885GLA 2899/4885MEN1 2783/4885

“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.