SCHEMBL4361883

SCHEMBL4361883

Oc1ccc2c(c1)C(O)CC(c1cccc(Oc3ccc(Cl)cn3)c1)O2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.35
FAAH O00519 2/20 0.33
PTDSS1 P48651 1/20 0.33
PPARG P37231 1/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
MGLL Q99685 2/20 0.32
HRH3 Q9Y5N1 3/20 0.32
KCNH2 Q12809 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4359022 0.85 CYP19A1 (0.41) CYP19A1ESR1ESR2MGLL
SCHEMBL4366657 0.82 ESR1 (0.51) ESR1ESR2
SCHEMBL6205761 0.81 KDM4E (0.46) CYP19A1KMT2A
SCHEMBL4370441 0.81 AR (0.55) CYP19A1ESR2MAPT
Hydrochloric Acid SCHEMBL4361996 0.80 KDM4E (0.45) CYP19A1KMT2A
SCHEMBL4362107 0.79 FFAR1 (0.42) CYP19A1ESR1ESR2
SCHEMBL4359940 0.78 CYP19A1 (0.49) CYP19A1MAPTKMT2A
SCHEMBL4375482 0.77 HSPB1 (0.43) PPARGMAPTKMT2A
SCHEMBL4951613 0.77 KDM4E (0.55) CYP19A1KMT2A
SCHEMBL4362360 0.77 CA2 (0.46) CYP19A1ESR1ESR2KCNH2MAPT

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-7482340-B2 Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORPORATION (FI) 2009-01-27 US disclosed
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORPORATION (FI) 2006-10-26 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-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system SLC8B1, CACNA1A, MCU CYP19A1 2119/4885FAAH 2989/4885PTDSS1 405/4885

“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.