SCHEMBL2917831

SCHEMBL2917831

C1CCC([N]C2CCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
HIF1A Q16665 1/20 0.50
ALDH1A1 P00352 4/20 0.45
SIGMAR1 Q99720 3/20 0.35
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL49195 1.00 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL819653 1.00 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL49353 1.00 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL7647781 1.00 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL7644168 1.00 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL1679057 0.96 EPHX1 (0.47) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL1678725 0.96 EPHX1 (0.47) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL1679055 0.96 EPHX1 (0.47) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL49819 0.96 EPHX1 (0.44) EPHX1HIF1AALDH1A1SIGMAR1KMT2A
SCHEMBL1678970 0.92

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198487-B2 Method for lithium exchange reactions LONZA AG (CH) 2012-06-12 US disclosed
EP-2109616-B1 METHOD FOR LITHIUM EXCHANGE REACTIONS LONZA AG (CH) 2010-08-25 EP disclosed
US-20100113839-A1 METHOD FOR LITHIUM EXCHANGE REACTIONS LONZA AG (CH) 2010-05-06 US disclosed
EP-2109616-A1 METHOD FOR LITHIUM EXCHANGE REACTIONS LONZA AG (CH) 2009-10-21 EP disclosed
WO-2008095646-A1 METHOD FOR LITHIUM EXCHANGE REACTIONS LONZA AG (CH) 2008-08-14 WO disclosed
EP-1956023-A1 Method for lithium exchange reactions LONZA AG (CH) 2008-08-13 EP disclosed
US-5245069-A Reacting a phosphoryl halide and a phenol in the presence of a dialkylaminopyridine and an arylphosphorodihalidate MERCK & CO., INC. (US) 1993-09-14 US disclosed
EP-0167817-B1 8-Alkylthio-2-piperazino-pyrimido[5,4-d]pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1989-09-20 EP disclosed
US-4845261-A Process for bis(substituted phenyl) phosphorohalidates MERCK & CO., INC. (US) 1989-07-04 US disclosed
US-4714698-A ANTITUMOR, ANTICOAGULANT DR. KARL THOMAE GMBH (DE) 1987-12-22 US disclosed
EP-0167817-A1 8-Alkylthio-2-piperazino-pyrimido[5,4-d]pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1986-01-15 EP 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-20100113839-A1 METHOD FOR LITHIUM EXCHANGE REACTIONS SLC6A5, SLC6A9, SLC6A6 EPHX1 3461/4885HIF1A 4358/4885ALDH1A1 4332/4885

“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.