SCHEMBL23399308

SCHEMBL23399308

Cc1ccc(-c2c(C(C)(C)C)c(O)nn2-c2ccccc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 1/20 0.40
MAPK14 Q16539 2/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
TSHR P16473 1/20 0.35
ADORA1 P30542 2/20 0.34
C5AR1 P21730 3/20 0.34
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 1/20 0.33
IDH1 O75874 1/20 0.33
FLT3 P36888 1/20 0.33
GSK3B P49841 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 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
SCHEMBL23399114 0.92 ALDH1A1 (0.45) ALDH1A1MAPTMAPK14MAPK13MAPK12
SCHEMBL23401604 0.86 ALDH1A1 (0.40) ALDH1A1MAPTMAPK14MAPK13MAPK12
SCHEMBL23398918 0.83 ALDH1A1 (0.43) ALDH1A1MAPTMAPK14MAPK13MAPK12
SCHEMBL23402252 0.83 ALDH1A1 (0.43) ALDH1A1MAPTMAPK14MAPK13MAPK12
SCHEMBL23403641 0.82 ALDH1A1 (0.43) ALDH1A1MAPTMAPK14MAPK13MAPK12
SCHEMBL23399184 0.81 CDK8 (0.42) ALDH1A1MAPTMAPK14TSHRKMT2A
SCHEMBL23399607 0.81 ALDH1A1 (0.40) ALDH1A1MAPTMAPK14MAPK13MAPK12
SCHEMBL23402844 0.81 CYP1A2 (0.43) ALDH1A1MAPTMAPK14MAPK13MAPK12
SCHEMBL23399621 0.80 ALDH1A1 (0.47) ALDH1A1MAPTMAPK14MAPK13MAPK12
SCHEMBL23401413 0.80 MAPK14 (0.41) ALDH1A1MAPTMAPK14MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed
US-20170000897-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. 2017-01-05 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-20170000897-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM ALDH1A1 3456/4885MAPT 895/4885MAPK14 2531/4885

“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.