SCHEMBL6696047

SCHEMBL6696047

COC(=O)c1c(-c2ccc(F)cc2Cl)noc1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.64
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.46
PPARD Q03181 4/20 0.45
DHODH Q02127 2/20 0.45
POLB P06746 1/20 0.43
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.42
GPBAR1 Q8TDU6 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL12374641 0.79 PTGS1 (1.00) PTGS1KDM4EALDH1A1TP53MEN1
SCHEMBL22570862 0.79 PTGS1 (0.73) PTGS1KDM4EMAPTALDH1A1LMNA
SCHEMBL5777104 0.79 PTGS1 (0.65) PTGS1KDM4EMAPTALDH1A1TP53
SCHEMBL17845096 0.77 PTGS1 (0.60) PTGS1KDM4EMAPTALDH1A1MEN1
SCHEMBL12374640 0.74 PTGS1 (1.00) PTGS1KDM4EMAPTALDH1A1TP53
SCHEMBL899374 0.73 GPBAR1 (0.53) MAPTALDH1A1TP53L3MBTL1LMNA
SCHEMBL16502243 0.71 PTGS1 (0.73) PTGS1KDM4EMAPTALDH1A1TP53
SCHEMBL16698055 0.71 HSD17B10 (0.53) PTGS1MAPTALDH1A1KMT2AL3MBTL1
SCHEMBL6695232 0.70 MAPT (0.57) KDM4EMAPTALDH1A1TP53LMNA
SCHEMBL13615438 0.70 HTT (0.54) PTGS1ALDH1A1MEN1KMT2ALMNA

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-20040077675-A1 Compounds and methods for inhibiting MRP1 BONJOUKLIAN ROSANNE (US) 2004-04-22 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-20040077675-A1 Compounds and methods for inhibiting MRP1 ABCC1, ABCB1, ABCB11 PTGS1 606/4885KDM4E 4499/4885MAPT 4342/4885

“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.