SCHEMBL23399417

SCHEMBL23399417

Cc1ccc(-c2[nH]n(-c3cccc(C)c3)c(=O)c2CC(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
NOD2 Q9HC29 2/20 0.42
TNF P01375 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NOD1 Q9Y239 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.40
GAA P10253 5/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CYBB P04839 1/20 0.36
NOX4 Q9NPH5 1/20 0.36

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
SCHEMBL23399600 0.93 MAPT (0.45) MAPTNOD2TNFTDP1NOD1
SCHEMBL23400937 0.91 MAPT (0.43) MAPTNOD2TNFTDP1NOD1
SCHEMBL23401207 0.89 GAA (0.46) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL23399660 0.88 SMN1; SMN2 (0.41) MAPTNOD2TNFTDP1NOD1
SCHEMBL23400471 0.87 SMN1; SMN2 (0.46) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL23401715 0.86 ALKBH5 (0.42) MAPTNOD2TNFTDP1NOD1
SCHEMBL23398436 0.85 GAA (0.44) MAPTNOD2TNFTDP1NOD1
SCHEMBL23402370 0.84 CYBB (0.52) MAPTNOD2TNFTDP1NOD1
SCHEMBL23402600 0.84 MEN1 (0.46) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL23401948 0.83 GAA (0.48) MAPTNOD2TNFTDP1NOD1

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-20170002090-A1 LIGAND-CYTOTOXIC DRUG CONJUGATE, PREPARATION METHOD THEREOF, AND USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 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-20170002090-A1 LIGAND-CYTOTOXIC DRUG CONJUGATE, PREPARATION METHOD THEREOF, AND USES THEREOF LPXN, ADGRF1, LHCGR MAPT 4008/4885NOD2 806/4885TNF 3785/4885

“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.