SCHEMBL21790489

SCHEMBL21790489

CCCC(C)(C)Nc1cc(OC)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
LMNA P02545 5/20 0.46
MAPT P10636 4/20 0.46
GAA P10253 3/20 0.46
MEN1 O00255 3/20 0.46
USP2 O75604 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 4/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 4/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL20156691 0.88 TSHR (0.47) KMT2ALMNAMAPTGAAMEN1
SCHEMBL21790806 0.80 KIF11 (0.37) KMT2ALMNAMAPTGAAMEN1
SCHEMBL12777750 0.80 KMT2A (0.54) KMT2ALMNAMAPTGAAMEN1
SCHEMBL5663443 0.73 KMT2A (0.51) KMT2ALMNAMAPTGAAMEN1
SCHEMBL2498219 0.73 KMT2A (0.54) KMT2ALMNAMAPTGAAMEN1
SCHEMBL31377084 0.73 KMT2A (0.54) KMT2ALMNAMAPTGAAMEN1
SCHEMBL31377083 0.73 KMT2A (0.54) KMT2ALMNAMAPTGAAMEN1
SCHEMBL14141593 0.72 LMNA (0.55) KMT2ALMNAMAPTGAAMEN1
SCHEMBL21790800 0.71 KMT2A (0.43) KMT2AMAPTGAAMEN1L3MBTL1
SCHEMBL21790726 0.71 TUBB4A (0.46) KMT2ALMNAMAPTGAAMEN1

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-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 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-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 KMT2A 3443/4885LMNA 2839/4885MAPT 4163/4885

“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.