SCHEMBL23313019

SCHEMBL23313019

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 7/20 0.46
P2RX1 P51575 1/20 0.42
TMPRSS4 Q9NRS4 1/20 0.42
MAOB P27338 1/20 0.41
AR P10275 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
DHFR P00374 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL23313017 0.82 P2RX1 (0.50) P2RX1TMPRSS4MAOBARALDH1A1
SCHEMBL11314160 0.75 HSP90AB1 (0.52) P2RX1TMPRSS4MAOBARALDH1A1
SCHEMBL23313034 0.75 KDM4E (0.47) RIPK1ALDH1A1HTTKDM4EHPGD
SCHEMBL25742812 0.72 HSD17B10 (0.59) MAOBARALDH1A1HTTKDM4E
SCHEMBL31231917 0.72 P2RX1 (0.50) P2RX1TMPRSS4MAOBARALDH1A1
SCHEMBL467241 0.72 P2RX1 (0.50) P2RX1TMPRSS4MAOBARALDH1A1
SCHEMBL19604232 0.72 HCRTR2 (0.48) RIPK1
SCHEMBL3895996 0.71 CA12 (0.70) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL20570435 0.71 EGFR (0.50) P2RX1TMPRSS4MAOBARALDH1A1
SCHEMBL4023074 0.71 KDM4E (0.42) P2RX1TMPRSS4MAOBARALDH1A1

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 RIPK1 218/4885P2RX1 3220/4885TMPRSS4 3278/4885

“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.