SCHEMBL21119026

SCHEMBL21119026

COc1cc(Cl)c(C=O)c(Cl)c1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ ERN1 O75460 4/20 0.33
▸ MAPT P10636 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TSHR P16473 3/20 0.32
▸ ALDH1A1 P00352 5/20 0.32
▸ KDM4E B2RXH2 3/20 0.31
▸ GAA P10253 1/20 0.31
▸ ALPL P05186 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL881433 0.80 ERN1 (0.40) PRKDCERN1MAPTTSHRALDH1A1
SCHEMBL1620299 0.76 ALDH1A1 (0.44) NPSR1POLBPRKDCMAPTATM
SCHEMBL1250513 0.74 CA12 (0.39) KMT2AALDH1A1TDP1
SCHEMBL4502676 0.72 ALDH1A1 (0.39) POLBPRKDCERN1MAPTKMT2A
SCHEMBL4255245 0.72 ERN1 (0.53) ERN1
SCHEMBL6061801 0.71 ALDH1A1 (0.40) NPSR1POLBMAPTATMKMT2A
SCHEMBL3686242 0.71 ALDH1A1 (0.52) PRKDCMAPTATMKMT2ATSHR
SCHEMBL30876424 0.71 ALDH1A1 (0.52) PRKDCMAPTATMKMT2ATSHR
SCHEMBL9709201 0.71 ALDH1A1 (0.45) NPSR1POLBPRKDCERN1TSHR
SCHEMBL5328582 0.71 ERN1 (0.53) PRKDCERN1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10711027-B2 DNA polymerase beta inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2020-07-14 — — US disclosed
US-20190202853-A1 DNA POLYMERASE BETA INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2019-07-04 — — 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 (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-10711027-B2 DNA polymerase beta inhibitors POLB, POLH, POLN NPSR1 4744/4885POLB 1/4885PRKDC 171/4885
US-20190202853-A1 DNA POLYMERASE BETA INHIBITORS POLB, POLH, POLN NPSR1 4744/4885POLB 1/4885PRKDC 171/4885

“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.

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