SCHEMBL21790735

SCHEMBL21790735

CCCC(C)(C)Nc1ccc(OCC)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.50
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 2/20 0.42
TSHR P16473 1/20 0.42
ADRA2A P08913 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NFKB1 P19838 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41

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
SCHEMBL6153751 0.88 NQO1 (0.45) NQO1MAPTPOLBLMNAKMT2A
SCHEMBL18826799 0.85 NQO1 (0.54) NQO1MAPTPOLBLMNAKMT2A
SCHEMBL11638536 0.83 NQO1 (0.61) NQO1MAPTPOLBLMNAKMT2A
SCHEMBL6153750 0.82 NQO1 (0.50) NQO1MAPTPOLBLMNAKMT2A
SCHEMBL21790484 0.80 TP53 (0.45) LMNAKMT2AMEN1CYP1A2ALDH1A1
SCHEMBL21790805 0.79 LMNA (0.48) MAPTPOLBLMNAKMT2AMEN1
SCHEMBL21790446 0.78 MAPK1 (0.46) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL13091135 0.77 GAA (0.45) MAPTPOLBLMNAKMT2ATDP1
SCHEMBL23084860 0.76 KDM4E (0.38) MAPTLMNAKMT2ATDP1MEN1
SCHEMBL21790728 0.76 ESR1 (0.48) MAPTPOLBLMNAKMT2ATDP1

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 NQO1 61/4885MAPT 4163/4885POLB 2240/4885

“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.