SCHEMBL8568065

SCHEMBL8568065

CC(=O)c1cc(CO)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.50
MAOB P27338 5/20 0.50
KLKB1 P03952 1/20 0.50
CTSB P07858 1/20 0.50
MMP9 P14780 1/20 0.50
DNMT1 P26358 1/20 0.50
DNMT3B Q9UBC3 1/20 0.50
DNMT3L Q9UJW3 1/20 0.50
DNMT3A Q9Y6K1 1/20 0.50
ACMSD Q8TDX5 1/20 0.47
PKM P14618 1/20 0.47
LCK P06239 2/20 0.46
HNF4A P41235 1/20 0.44
KAT8 Q9H7Z6 2/20 0.44
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
HTT P42858 1/20 0.41
MCL1 Q07820 1/20 0.40
EGFR P00533 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
SCHEMBL21035765 0.86 LCK (0.61) MAOAMAOBKLKB1CTSBMMP9
SCHEMBL13302505 0.86 KLKB1 (0.68) MAOAMAOBKLKB1CTSBMMP9
SCHEMBL11556307 0.85 KDM4E (0.57) MAOAMAOBKLKB1CTSBMMP9
SCHEMBL925372 0.84 TRPA1 (0.57) MAOAMAOBKLKB1CTSBMMP9
SCHEMBL11938337 0.84 ALDH1A1 (0.52) MAOAMAOBPKMCYP4F2CYP4A11
SCHEMBL21632307 0.82 PLG (0.49) MAOAMAOBKLKB1CTSBMMP9
SCHEMBL11337098 0.82 MAOA (0.53) MAOAMAOBKLKB1CTSBMMP9
SCHEMBL312283 0.82 MAOA (0.49) MAOAMAOBKLKB1CTSBMMP9
SCHEMBL4878532 0.82 KLKB1 (0.74) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL31550006 0.82 KLKB1 (0.74) KLKB1CTSBMMP9DNMT1DNMT3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760773-B2 Small molecule drug conjugates of gemcitabine monophosphate MAVERIX ONCOLOGY, INC. (US) 2023-09-19 US disclosed
EP-0431943-B1 Spiro(pyran)piperidine derivatives MERCK & CO INC (US) 1998-07-15 EP disclosed
US-5633247-A ANTIARRTHYMIA AGENT MERCK & CO., INC. (US) 1997-05-27 US disclosed
US-5206240-A Antiarrhythmia agents MERCK & CO., INC. (US) 1993-04-27 US disclosed
EP-0431943-A2 Nitrogen-containing spirocycles MERCK & CO. INC. (US) 1991-06-12 EP disclosed
US-4778757-A ADDING FIRST REAGENT OF OXIDASE, PEROXIDASE AND PHENOLIC CHROMOGEN FOLLOWED BY ADDING COUPLER; ACCURATE COLORIMETRY TOYO BOSEKI KABUSHIKI KAISHA (JP) 1988-10-18 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-11760773-B2 Small molecule drug conjugates of gemcitabine monophosphate ZYX, SLC7A5, GMPS MAOA 4467/4885MAOB 3534/4885KLKB1 4198/4885

“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.