SCHEMBL29328285

SCHEMBL29328285

CCCC(C)c1cc(OC)c(F)cc1C#N

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
GRM2 Q14416 1/20 0.34
KCNJ1 P48048 1/20 0.34
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
P2RX3 P56373 2/20 0.33
P2RX2 Q9UBL9 2/20 0.33
IDH1 O75874 1/20 0.33
HTR2A P28223 1/20 0.33
TRPV4 Q9HBA0 1/20 0.32

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
SCHEMBL29328240 0.82 P2RX3 (0.42) ARKDM4EUSP2ALDH1A1P2RX3
SCHEMBL23771942 0.79 TAS1R3 (0.39) TAS1R3TAS1R1P2RX3P2RX2
SCHEMBL18638201 0.73 ALK (0.37) ARALDH1A1TRPV4
SCHEMBL3425063 0.72 KDM4E (0.48) ARKDM4EUSP2ALDH1A1IDH1
SCHEMBL11963120 0.72 TRPV4 (0.50) ARKDM4EUSP2ALDH1A1IDH1
SCHEMBL18671538 0.71 PDE4A (0.46) ARPDE4APDE4BPDE4CPDE4D
SCHEMBL21023399 0.71 AR (0.42) ARTRPV4
SCHEMBL22796684 0.71 AR (0.42) ARTRPV4
SCHEMBL15646608 0.70 KDM4E (0.42) ARKDM4EUSP2ALDH1A1IDH1
SCHEMBL2731180 0.69 TRPV4 (0.45) ARKDM4EUSP2ALDH1A1IDH1

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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE AR 3185/4885TAS1R3 3149/4885TAS1R1 2902/4885

“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.