SCHEMBL4373797

SCHEMBL4373797

O=C1CC(c2ccc(F)c(Cl)c2)Oc2ccc(O)cc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.64
TTR P02766 2/20 0.59
CYP19A1 P11511 5/20 0.55
TUBB4A P04350 1/20 0.55
TUBB P07437 1/20 0.55
YES1 P07947 1/20 0.55
TUBA3C P0DPH7 1/20 0.55
TUBA1B P68363 1/20 0.55
TUBA4A P68366 1/20 0.55
TUBB4B P68371 1/20 0.55
TUBB3 Q13509 1/20 0.55
TUBB2A Q13885 1/20 0.55
TUBB8 Q3ZCM7 1/20 0.55
TUBA3E Q6PEY2 1/20 0.55
TUBA1A Q71U36 1/20 0.55
ESR2 Q92731 1/20 0.55
TUBA1C Q9BQE3 1/20 0.55
TUBB6 Q9BUF5 1/20 0.55
TUBB2B Q9BVA1 1/20 0.55
TUBB1 Q9H4B7 1/20 0.55

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
SCHEMBL4952701 0.86 AR (0.77) ARTTRCYP19A1TUBB4ATUBB
SCHEMBL4366347 0.84 AR (0.73) ARTTRCYP19A1TUBB4ATUBB
SCHEMBL4360454 0.83 AR (0.77) ARCYP19A1TUBB4ATUBBYES1
SCHEMBL4370725 0.83 AR (0.86) ARTTRCYP19A1TUBB4ATUBB
SCHEMBL4358992 0.81 AR (0.73) ARCYP19A1TUBB4ATUBBYES1
SCHEMBL4360628 0.81 AR (0.72) ARTTRCYP19A1TUBB4ATUBB
SCHEMBL4953726 0.80 AR (0.81) ARTTRCYP19A1TUBB4ATUBB
SCHEMBL4362380 0.80 AR (0.81) ARTTRCYP19A1TUBB4ATUBB
SCHEMBL10362227 0.79 AR (1.00) ARCYP19A1TUBB4ATUBBYES1
SCHEMBL126598 0.79 AR (1.00) ARCYP19A1TUBB4ATUBBYES1

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 3262/4885TTR 3349/4885CYP19A1 2119/4885

“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.