SCHEMBL10128533

SCHEMBL10128533

CC(C)(C)c1ccc(-c2ccc3c(c2)c2ccccc2c2nnc(-c4ccc(Br)cc4)n32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
OPRD1 P41143 4/20 0.35
OPRM1 P35372 1/20 0.35
PTGER4 P35408 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 3/20 0.34
PDE2A O00408 2/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PPARG P37231 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10128494 0.93 POLB (0.42) POLBOPRD1OPRM1PTGER4NPC1
SCHEMBL10128528 0.89 RXFP1 (0.44) POLBNPC1RAB9AALDH1A1HPGD
SCHEMBL10128511 0.89 POLB (0.47) POLBNPC1RAB9AALDH1A1HPGD
SCHEMBL10128499 0.89 POLB (0.47) POLBNPC1RAB9AALDH1A1HPGD
SCHEMBL10128714 0.88 POLB (0.41) POLBOPRD1OPRM1NPC1RAB9A
SCHEMBL10128506 0.87 POLB (0.48) POLBNPC1RAB9AALDH1A1HPGD
SCHEMBL10127860 0.85 POLB (0.43) POLBOPRD1OPRM1PTGER4NPC1
SCHEMBL10127777 0.85 POLB (0.43) POLBOPRD1OPRM1PTGER4NPC1
SCHEMBL10128517 0.85 POLB (0.41) POLBPTGER4NPC1RAB9AALDH1A1
SCHEMBL10128482 0.84 POLB (0.44) POLBNPC1RAB9AALDH1A1HPGD

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-9034486-B2 Triazole derivative, heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD (JP) 2015-05-19 US disclosed
US-9034486-B2 Triazole derivative, heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD (JP) 2015-05-19 US disclosed
WO-2012017842-A1 TRIAZOLE DERIVATIVE, HETEROCYCLIC COMPOUND, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-09 WO disclosed
US-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 US disclosed
US-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 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-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device HTR3D, KCNQ4, KCNQ3 POLB 3317/4885OPRD1 360/4885OPRM1 758/4885

“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.