SCHEMBL4370441

SCHEMBL4370441

O=C1CC(c2cccc(Oc3ccc(Cl)cn3)c2)Oc2ccc(O)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.55
CYP19A1 P11511 5/20 0.48
CYP3A4 P08684 2/20 0.47
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
PSMB5 P28074 1/20 0.44
TTR P02766 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
YES1 P07947 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42

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
SCHEMBL4362361 0.85 AR (0.61) ARCYP19A1CYP3A4MAOAMAOB
SCHEMBL4366645 0.85 AR (0.60) ARCYP19A1MAOAMAOBPSMB5
SCHEMBL4366657 0.84 ESR1 (0.51) ESR2
SCHEMBL4361883 0.81 CYP19A1 (0.35) CYP19A1MAPTESR2
SCHEMBL4365832 0.79 MAOB (0.60) ARCYP19A1CYP3A4MAOAMAOB
SCHEMBL4366347 0.79 AR (0.73) ARCYP19A1CYP3A4MAOAMAOB
SCHEMBL4366562 0.78 CYP19A1 (0.71) ARCYP19A1CYP3A4MAOBMAPT
SCHEMBL4366868 0.77 SLC8A1 (0.50)
SCHEMBL4952701 0.76 AR (0.77) ARCYP19A1CYP3A4MAOAMAOB
SCHEMBL4953726 0.76 AR (0.81) ARCYP19A1CYP3A4MAOAMAOB

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 AR 3262/4885CYP19A1 2119/4885CYP3A4 655/4885

“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.