SCHEMBL30003551

SCHEMBL30003551

CC(=O)O[C@H]1[C@H](n2cc(I)c3c(Cl)cccc32)O[C@H](COC(=O)c2ccccc2)[C@@]1(C)OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 2/20 0.36
ALDH1A1 P00352 3/20 0.34
IL1B P01584 1/20 0.33
P2RX7 Q99572 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.32
HTT P42858 1/20 0.31
TSHR P16473 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
SLC5A2 P31639 1/20 0.30
ABCB1 P08183 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
SCHEMBL30003828 0.85 GAPDH (0.38) GAPDHALDH1A1IL1BP2RX7NPC1
SCHEMBL30003568 0.84 ADK (0.44) GAPDHALDH1A1
SCHEMBL25109983 0.84 ADK (0.44) GAPDHALDH1A1
SCHEMBL31123702 0.78 ALDH1A1 (0.34) GAPDHALDH1A1NPC1POLBHTT
SCHEMBL29324914 0.76 POLB (0.42) ALDH1A1POLBKMT2A
SCHEMBL25109992 0.75 PRMT5 (0.41) ALDH1A1
SCHEMBL30003625 0.75 PRMT5 (0.41) ALDH1A1
SCHEMBL20557502 0.74 ALDH1A1 (0.45) ALDH1A1NPC1TSHRKMT2AABCB1
SCHEMBL29324933 0.74 ALDH1A1 (0.45) ALDH1A1NPC1TSHRKMT2AABCB1
SCHEMBL16576324 0.74 ALDH1A1 (0.45) ALDH1A1NPC1TSHRKMT2AABCB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12173026-B2 PRMT5 inhibitors MERCK SHARP & DOHME LLC (US) 2024-12-24 US disclosed
US-20230062119-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME LLC (US) 2023-03-02 US disclosed
US-20220363707-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-11-17 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 (2 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-20220363707-A1 PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 GAPDH 1109/4885ALDH1A1 1380/4885IL1B 4143/4885
US-12173026-B2 PRMT5 inhibitors PRMT5, PRMT1, PRMT3 GAPDH 1109/4885ALDH1A1 1380/4885IL1B 4143/4885

“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.