SCHEMBL25533338

SCHEMBL25533338

CCCc1cc(CCC)c(CI)cc1CC

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN11 Q06124 1/20 0.33
HMGCR P04035 1/20 0.32
MPO P05164 1/20 0.31
TPO P07202 1/20 0.31
TSHR P16473 1/20 0.31
LPO P22079 1/20 0.31
CYP2C19 P33261 1/20 0.31
TAS2R38 P59533 1/20 0.31
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL11792898 0.87 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9487271 0.79 HMGCR (0.42) PTPN1PTPN11HMGCRMPOTPO
SCHEMBL12516288 0.75 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25559002 0.74 AR (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5676840 0.73 ALOX15 (0.56) PTPN1PTPN11HMGCRTSHRALOX15
SCHEMBL5487470 0.72
SCHEMBL3205225 0.72 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13964126 0.71 TAAR1 (0.60) HMGCR
SCHEMBL24336330 0.70 ATM (0.50)
SCHEMBL2666168 0.70 DHFR (0.38)

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-20230167140-A1 INOSITOL DERIVATIVE AND USE THEREOF SHANGHAI SENHUI MEDICINE CO., LTD. (CN) 2023-06-01 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-20230167140-A1 INOSITOL DERIVATIVE AND USE THEREOF PPIP5K2, IP6K2, IP6K1 GRIN2D 199/4885GRIN3B 1544/4885GRIN1 1094/4885

“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.