SCHEMBL4358165

SCHEMBL4358165

O=C1CC(c2cccc(OCc3ccccc3)c2)Oc2ccc(O)cc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.68
CYP19A1 P11511 6/20 0.55
MAOB P27338 5/20 0.55
MAOA P21397 3/20 0.55
PSMB5 P28074 1/20 0.55
CYP3A4 P08684 2/20 0.55
ABCB1 P08183 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
ADORA3 P0DMS8 2/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
STS P08842 1/20 0.48
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
YES1 P07947 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47

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
SCHEMBL1823533 0.86 AR (0.69) ARCYP19A1MAOBMAOAPSMB5
SCHEMBL4366562 0.83 CYP19A1 (0.71) ARCYP19A1MAOBCYP3A4ABCB1
SCHEMBL126598 0.82 AR (1.00) ARCYP19A1MAOBMAOAPSMB5
SCHEMBL10362227 0.82 AR (1.00) ARCYP19A1MAOBMAOAPSMB5
SCHEMBL4372458 0.81 ESR1 (0.56) ARESR2
SCHEMBL4953726 0.81 AR (0.81) ARCYP19A1MAOBMAOAPSMB5
SCHEMBL4362380 0.81 AR (0.81) ARCYP19A1MAOBMAOAPSMB5
SCHEMBL27934733 0.81 MAOB (0.59) ARMAOBMAOAABCB1ABCG2
SCHEMBL4362361 0.80 AR (0.61) ARCYP19A1MAOBMAOAPSMB5
SCHEMBL4362360 0.79 CA2 (0.46) CYP19A1MAOBMAOAMAPTRAB9A

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
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
EP-1583759-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2005-10-12 EP disclosed
WO-2004063191-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2004-07-29 WO 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 2119/4885MAOB 1212/4885

“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.