SCHEMBL23313017

SCHEMBL23313017

CC(C)(C)C(=O)c1cc(F)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.50
TMPRSS4 Q9NRS4 1/20 0.50
MAOB P27338 3/20 0.45
ALDH1A1 P00352 4/20 0.44
AR P10275 2/20 0.44
HTT P42858 1/20 0.44
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
DHFR P00374 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.42
TTR P02766 1/20 0.42
ALB P02768 1/20 0.42
HMGB1 P09429 1/20 0.42
CXCL12 P48061 1/20 0.42

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
SCHEMBL10001186 0.83 ACMSD (0.69) ALDH1A1HPGDKDM4EMEN1USP2
SCHEMBL11955147 0.82 CES2 (0.61) P2RX1TMPRSS4HTTCES2CES1
SCHEMBL23313019 0.82 RIPK1 (0.46) P2RX1TMPRSS4MAOBALDH1A1AR
SCHEMBL26019646 0.81 CES2 (0.44) P2RX1TMPRSS4ALDH1A1HTTCES2
SCHEMBL28475965 0.80 CA12 (0.57) P2RX1ALDH1A1HTTCES2CA1
SCHEMBL13152006 0.79 KEAP1 (0.61) P2RX1TMPRSS4ALDH1A1HTTCES2
SCHEMBL8232600 0.79 CES2 (0.42) P2RX1TMPRSS4ALDH1A1CES2CES1
SCHEMBL13151879 0.78 CES2 (0.61) HTTCES2CES1KMT2A
SCHEMBL20968011 0.78 HSP90AA1 (0.60) P2RX1ALDH1A1HTTHPGDKDM4E
SCHEMBL26054350 0.78 CSNK2A1 (0.62) P2RX1TMPRSS4ALDH1A1HTTHPGD

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-10995061-B2 SPAK kinase inhibitors as neuroprotective agents UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2021-05-04 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-10995061-B2 SPAK kinase inhibitors as neuroprotective agents SBK1, DAPK2, SPAST P2RX1 3220/4885TMPRSS4 3278/4885MAOB 2514/4885

“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.