SCHEMBL10155413

SCHEMBL10155413

CC(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nnc3c4ccccc4ccn23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
RORA P35398 2/20 0.31
RORC P51449 2/20 0.31
RORB Q92753 2/20 0.31
PPARG P37231 1/20 0.31
KDM1A O60341 1/20 0.31
UCHL3 P15374 1/20 0.31
DHFR P00374 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
KCNH2 Q12809 1/20 0.30
OPRM1 P35372 1/20 0.30

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
SCHEMBL10128229 0.93 RORA (0.35) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL10128239 0.92 MAPT (0.39) ALDH1A1MAPTMAPK1NPSR1KDM4E
SCHEMBL10128263 0.86 ALDH1A1 (0.40) ALDH1A1MAPTMAPK1NPSR1KDM4E
SCHEMBL10148971 0.85 MAPT (0.36) ALDH1A1MAPTMAPK1NPSR1KDM4E
SCHEMBL10148969 0.85 UCHL3 (0.41) MAPTMAPK1RORARORCRORB
SCHEMBL10128231 0.84 RXFP1 (0.34) ALDH1A1MAPTMAPK1KDM4EKMT2A
SCHEMBL14026360 0.81 AVPR1A (0.42) ALDH1A1MAPTMAPK1NPSR1KDM4E
SCHEMBL10128221 0.81 ALDH1A1 (0.41) ALDH1A1MAPTMAPK1NPSR1KDM4E
SCHEMBL10128251 0.80 TUBB4A (0.37) ALDH1A1MAPTKMT2AOPRD1
SCHEMBL10128220 0.79 ALDH1A1 (0.40) ALDH1A1MAPTNPSR1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 1032/4885MAPT 1271/4885MAPK1 2299/4885

“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.