SCHEMBL21790748

SCHEMBL21790748

CCCC(C)(C)Nc1ccc(OC)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
GALR2 O43603 1/20 0.38
TUBB1 Q9H4B7 2/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
ABCB1 P08183 1/20 0.37
ABCC1 P33527 1/20 0.37

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
SCHEMBL12403868 0.84 TUBB1 (0.44) TAS1R3TAS1R1GALR2TUBB1LMNA
SCHEMBL21790726 0.82 TUBB4A (0.46) TUBB1LMNARAB9A
SCHEMBL21790579 0.76 TDO2 (0.34) LMNARAB9A
SCHEMBL12963121 0.76 ICMT (0.45) TAS1R3TAS1R1GALR2TUBB1LMNA
SCHEMBL21790441 0.75 RAPGEF4 (0.35)
SCHEMBL21790802 0.74 PTGS2 (0.44) TUBB1MAPK1HTT
SCHEMBL1239663 0.74 BCL6 (0.45) TAS1R3TAS1R1GALR2TUBB1LMNA
SCHEMBL23084860 0.73 KDM4E (0.38) LMNAMAPK1HTTRAB9A
SCHEMBL12932934 0.73 ICMT (0.44) TUBB1LMNAMAPK1HTTRAB9A
SCHEMBL20565356 0.73 MEN1 (0.45) TAS1R3TAS1R1

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 TAS1R3 2363/4885TAS1R1 2317/4885GALR2 2635/4885

“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.