SCHEMBL21119059

SCHEMBL21119059

CC(=O)c1c(C)oc(C(=O)O)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
MCL1 Q07820 4/20 0.39
GPR35 Q9HC97 1/20 0.39
POLB P06746 2/20 0.38
GAA P10253 3/20 0.36
MAPT P10636 2/20 0.36
HSD17B10 Q99714 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
APEX1 P27695 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 2/20 0.35
EDNRA P25101 1/20 0.35
HPGD P15428 1/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL3009213 0.86 CYP1A2 (0.50) CYP1A2MCL1GPR35POLBGAA
SCHEMBL1801577 0.75 ALDH1A1 (0.47) CYP1A2POLBGAAMAPTHSD17B10
SCHEMBL15182540 0.75 CYP1A2 (0.67) CYP1A2MCL1GPR35POLBGAA
SCHEMBL15182532 0.75 CYP1A2 (0.67) CYP1A2MCL1GPR35GAAHSD17B10
SCHEMBL11843818 0.73 POLB (0.57) CYP1A2POLBGAAMAPTHSD17B10
SCHEMBL1356879 0.73 CYP1A2 (0.55) CYP1A2MCL1GPR35GAAHSD17B10
SCHEMBL16506662 0.73 CYP1A2 (0.56) CYP1A2MCL1GPR35POLBGAA
SCHEMBL6796580 0.71 POLB (0.39) CYP1A2POLBGAAMAPTHSD17B10
SCHEMBL10650682 0.71 POLB (0.39) CYP1A2POLBGAAMAPTHSD17B10
SCHEMBL2805600 0.68 POLB (0.57) CYP1A2POLBGAAMAPTHSD17B10

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 CYP1A2 2326/4885MCL1 1259/4885GPR35 4750/4885
US-20190202853-A1 DNA POLYMERASE BETA INHIBITORS POLB, POLH, POLN CYP1A2 2326/4885MCL1 1259/4885GPR35 4750/4885

“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.