SCHEMBL4375605

SCHEMBL4375605

Oc1ccc2c(c1)CCC(c1ccc(F)c(Cl)c1)O2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.70
ESR1 P03372 4/20 0.70
TTR P02766 2/20 0.41
PTPN1 P18031 1/20 0.40
DPP4 P27487 1/20 0.39
CYP19A1 P11511 4/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
YES1 P07947 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37

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
SCHEMBL4364870 0.89 ESR2 (0.74) ESR2ESR1TTRPTPN1DPP4
SCHEMBL4364022 0.83 ESR2 (0.83) ESR2ESR1PTPN1CYP19A1TUBB4A
SCHEMBL15913830 0.83 ESR2 (1.00) ESR2ESR1TTRPTPN1DPP4
SCHEMBL4363503 0.81 ESR2 (0.69) ESR2ESR1TTRPTPN1CYP19A1
SCHEMBL4370250 0.81 ESR2 (0.73) ESR2ESR1TTRPTPN1DPP4
SCHEMBL4364031 0.80 ESR1 (0.68) ESR2ESR1CYP19A1ARSLC6A2
SCHEMBL4360459 0.79 ESR2 (0.75) ESR2ESR1PTPN1CYP19A1TUBB4A
SCHEMBL4373797 0.79 AR (0.64) ESR2TTRPTPN1CYP19A1TUBB4A
SCHEMBL27517082 0.78 ESR2 (0.83) ESR2ESR1TTRPTPN1DPP4
SCHEMBL4361595 0.77 ESR2 (0.82) ESR2ESR1CYP19A1TUBB4ATUBB

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
CN-100457752-C Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORP (FI) 2009-02-04 CN disclosed
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
CN-1745078-A Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORP (FI) 2006-03-08 CN 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 ESR2 2281/4885ESR1 1827/4885TTR 3349/4885

“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.