SCHEMBL26463231

SCHEMBL26463231

CCOC(=O)c1cc(OC(F)(F)F)ccc1CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.46
ELANE P08246 2/20 0.46
TP53 P04637 1/20 0.45
HDAC4 P56524 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL21835710 0.90 POLB (0.46) POLBTSHRELANETP53HDAC4
SCHEMBL26612154 0.90 POLB (0.46) POLBTSHRELANETP53HDAC4
SCHEMBL12818154 0.86 MRGPRX4 (0.46) POLBHDAC3HDAC1KDM4EGAA
SCHEMBL6697866 0.85 CA12 (0.62) POLBTSHRELANETP53CA12
SCHEMBL15108843 0.84 SLC6A2 (0.47) POLBHDAC3HDAC1KDM4EGAA
SCHEMBL15108832 0.84 IGF2BP2 (0.47) POLBTP53ALDH1A1
SCHEMBL20203959 0.84 CYP4F2 (0.57) POLBTSHRELANETP53CA12
SCHEMBL7669715 0.84 ALDH1A1 (0.54) POLBTSHRELANETP53CA12
SCHEMBL20188661 0.83 POLB (0.50) POLBTSHRELANETP53HDAC3
SCHEMBL3481164 0.83 CYP4F2 (0.44) POLBTSHRELANETP53HDAC4

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-20230134428-A1 FUSED HETEROARYL COMPOUNDS, AND METHODS THEREOF FOR TREATING DISEASES, DISORDERS, AND CONDITIONS RELATING TO ABERRANT FUNCTION OF A SODIUM CHANNEL PRAXIS PRECISION MEDICINES, INC. 2023-05-04 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-20230134428-A1 FUSED HETEROARYL COMPOUNDS, AND METHODS THEREOF FOR TREATING DISEASES, DISORDERS, AND CONDITIONS RELATING TO ABERRANT FUNCTION OF A SODIUM CHANNEL SCN1A, SCN3A, SCN2A POLB 4404/4885TSHR 4153/4885ELANE 1752/4885

“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.