SCHEMBL6288747

SCHEMBL6288747

COc1ccc(C(C)(Br)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.50
APEX1 P27695 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
PLK1 P53350 1/20 0.46
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GSK3B P49841 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL21480073 0.82 MAPT (0.54) MAPTCA1CA2LMNAMAPK1
SCHEMBL1939457 0.82 AKR1C3 (0.54) MAPTCA1CA2LMNAMAPK1
SCHEMBL7358417 0.82 MAPT (0.53) MAPTCA1CA2LMNAMAPK1
SCHEMBL19004751 0.81 MAPT (0.57) MAPTCA1CA2LMNAMAPK1
SCHEMBL6404526 0.80 MAPT (0.51) MAPTCA1CA2LMNAMAPK1
SCHEMBL1371089 0.80 MAPT (0.51) MAPTCA1CA2LMNAMAPK1
SCHEMBL8341534 0.79 MAPT (0.47) MAPTCA1CA2LMNAMAPK1
SCHEMBL1507665 0.79 CA1 (0.54) MAPTCA1CA2LMNAMAPK1
SCHEMBL3492765 0.78 MAPT (0.50) MAPTCA1CA2LMNAMAPK1
Bromomethane SCHEMBL3169542 0.78 CYP2C9 (0.52) MAPTCA1CA2LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106187969-B A kind of preparation method of 4- aryl-coumarin class compound 山东省医学科学院药物研究所 2019-03-26 CN disclosed
US-6838584-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2005-01-04 US disclosed
US-20040162304-A1 Estrogen receptor modulators MERCK & CO., INC. 2004-08-19 US disclosed
US-5883090-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-03-16 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-20040162304-A1 Estrogen receptor modulators ESRRA, GPER1, ESRRB MAPT 843/4885CA1 2538/4885CA2 2489/4885

“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.