SCHEMBL2845264

SCHEMBL2845264

CNCCCc1ccc(OC)c(OC)c1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.80
POLB P06746 1/20 0.80
CA2 P00918 3/20 0.60
KDM4E B2RXH2 1/20 0.58
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.55
CYP19A1 P11511 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA9 Q16790 2/20 0.54
CA5A P35218 1/20 0.54
CA14 Q9ULX7 1/20 0.54
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
AOC3 Q16853 1/20 0.51

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
SCHEMBL10601421 0.93 ATM (0.75) ATMPOLBCA2KDM4EMAPT
SCHEMBL8635081 0.89 ATM (1.00) ATMPOLBCA2KDM4EMAPT
SCHEMBL30230461 0.89 ATM (1.00) ATMPOLBCA2KDM4EMAPT
SCHEMBL557799 0.89 ATM (1.00) ATMPOLBCA2KDM4EMAPT
Iodide SCHEMBL8828192 0.87 ATM (0.96) ATMPOLBCA2KDM4EMAPT
Hydrochloric Acid SCHEMBL3657276 0.87 ATM (0.96) ATMPOLBCA2KDM4EMAPT
SCHEMBL6992471 0.87 POLB (0.76) ATMPOLBCA2KDM4EMAPT
Hydrochloric Acid SCHEMBL9782076 0.86 SLC2A1 (0.65) ATMPOLBCA2KDM4EMAPT
SCHEMBL10343404 0.85 ATM (0.70) ATMPOLBCA2KDM4EMAPT
SCHEMBL30869991 0.85 ATM (0.70) ATMPOLBCA2KDM4EMAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3325477-B1 NOVEL TRICYCLIC 4-PYRIDONE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-05-01 EP disclosed
EP-2152670-B1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-12-25 EP disclosed
US-8202885-B2 Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-06-19 US disclosed
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2010-05-27 US disclosed
EP-2152670-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-02-17 EP disclosed
WO-2008132679-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-06 WO disclosed
EP-0109636-B1 BENZAZEPINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOUNDS Dr. Karl Thomae GmbH (DE) 1989-01-18 EP disclosed
US-4490369-A HYPOTENSIVE, BRRADYCARDIAL DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-12-25 US disclosed
EP-0109636-A2 Benzazepine derivatives, process for their preparation and their use as pharmaceutical compounds Dr. Karl Thomae GmbH (DE) 1984-05-30 EP disclosed
US-4127588-A Sulphur containing derivatives HOFFMANN-LA ROCHE INC. (US) 1978-11-28 US disclosed
US-4073797-A CORONARY DILATOR HOFFMANN-LA ROCHE INC. (US) 1978-02-14 US disclosed
US-4003914-A DITHIANE AND DISULFONE CORONARY DILATING AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-01-18 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-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS CACNA1E, CACNA1B, CACNA1A ATM 4645/4885POLB 2616/4885CA2 89/4885

“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.