SCHEMBL21790446

SCHEMBL21790446

CCCC(C)(C)Nc1ccc(OC(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
LMNA P02545 7/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 5/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 5/20 0.38
HTT P42858 5/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 2/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 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
SCHEMBL12403867 0.83 MAPK1 (0.49) MAPK1LMNAMEN1KMT2AMAPT
SCHEMBL21790805 0.79 LMNA (0.48) LMNAMEN1KMT2AMAPTKDM4E
SCHEMBL21790735 0.78 NQO1 (0.50) LMNAMEN1KMT2AMAPTKDM4E
SCHEMBL23084860 0.75 KDM4E (0.38) MAPK1LMNAMEN1KMT2AMAPT
SCHEMBL18699913 0.75 CNR2 (0.40) MAPK1LMNAMEN1KMT2AMAPT
SCHEMBL13091135 0.73 GAA (0.45) MAPK1LMNAMEN1KMT2AMAPT
SCHEMBL21527347 0.72 MAPK1 (0.47) MAPK1LMNAMEN1KMT2AMAPT
SCHEMBL12473138 0.72 MAPK1 (0.53) MAPK1LMNAMEN1KMT2AMAPT
SCHEMBL21790728 0.72 ESR1 (0.48) MAPK1LMNAMEN1KMT2AMAPT
SCHEMBL21790575 0.72 MEN1 (0.53) LMNAMEN1KMT2AKDM4ESMN1; SMN2

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 MAPK1 1205/4885LMNA 2839/4885MEN1 3035/4885

“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.