SCHEMBL3839481

SCHEMBL3839481

O=C(OC1CCCCC1)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.48
FABP7 O15540 1/20 0.47
FABP5 Q01469 1/20 0.47
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CYP2C19 P33261 1/20 0.42
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
NAAA Q02083 2/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL1296389 1.00 EPHX1 (0.48) EPHX1FABP7FABP5CA12CA1
SCHEMBL23587604 0.97 EPHX1 (0.45) EPHX1FABP7FABP5CA12CA1
SCHEMBL5953668 0.95 EPHX1 (0.48) EPHX1FABP7FABP5CA12CA1
SCHEMBL2678468 0.95 EPHX1 (0.48) EPHX1FABP7FABP5CA12CA1
SCHEMBL170007 0.95 EPHX1 (0.48) EPHX1FABP7FABP5CA12CA1
SCHEMBL24595803 0.95 EPHX1 (0.48) EPHX1FABP7FABP5CA12CA1
SCHEMBL11038809 0.95 EPHX1 (0.48) EPHX1FABP7FABP5CA12CA1
SCHEMBL17061159 0.95 EPHX1 (0.48) EPHX1FABP7FABP5CA12CA1
SCHEMBL17061158 0.95 EPHX1 (0.48) EPHX1FABP7FABP5CA12CA1
SCHEMBL27680260 0.95 EPHX1 (0.48) EPHX1FABP7FABP5CA12CA1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112673000-B 1H-indazole carboxamides as receptor interacting protein kinase 1 inhibitors (RIPK 1) 百时美施贵宝公司 2024-10-18 CN claimed
US-8822724-B2 Method for producing carboxylic acid amide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-02 US disclosed
EP-2599769-A1 METHOD FOR PRODUCING CARBOXYLIC ACID AMIDE Sumitomo Chemical Company Limited (JP) 2013-06-05 EP disclosed
US-20130123505-A1 METHOD FOR PRODUCING CARBOXYLIC ACID AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED 2013-05-16 US disclosed
CN-101506142-B Process for production of trans-2,2-dimethyl- 3-formylcyclopropane carboxylic acid ester SUMITOMO CO LTD 2013-04-17 CN disclosed
CN-103025706-A Method for producing carboxylic acid amide SUMITOMO CHEMICAL CO 2013-04-03 CN disclosed
CN-1832925-B New P2X7 receptor avtagonists and their use ASTRAZENECA AB 2010-05-05 CN disclosed
EP-1633717-B1 P2X7 RECEPTOR ANTAGONISTS AND THEIR USE ASTRAZENECA AB (SE) 2009-10-28 EP disclosed
CN-101506142-A Process for production of trans-2,2-dimethyl- 3-formylcyclopropane carboxylic acid ester SUMITOMO CHEMICAL CO (JP) 2009-08-12 CN disclosed
US-20090143354-A1 P2X7 Receptor Antagonists and Their Use ASTRAZENECA AB (SE) 2009-06-04 US disclosed
CN-100341842-C Process for production of formylcyclopropanecarboxylic ester compound SUMITOMO CHEMICAL CO (JP) 2007-10-10 CN disclosed
US-20060293337-A1 P2x7 receptor antagonists and their use ASTRAZENECA AB (SE) 2006-12-28 US disclosed
CN-1832925-A New p2x7 receptor avtagonists and their use ASTRAZENECA AB (SE) 2006-09-13 CN disclosed
CN-1761640-A Process for production of carbonyl compounds SUMITOMO CHEMICAL CO (JP) 2006-04-19 CN disclosed
EP-1633717-A1 NEW P2X7 RECEPTOR ANTAGONISTS AND THEIR USE AstraZeneca AB (SE) 2006-03-15 EP disclosed
CN-1681767-A Method for manufacturing 2-(hydroxymethyl) cyclopropane carboxylic acid compound SUMITOMO CHEMICAL CO (JP) 2005-10-12 CN disclosed
CN-1668570-A Process for producing formylcyclopropanecarboxylic acid ester compound SUMITOMO CHEMICAL CO (JP) 2005-09-14 CN disclosed
CN-1186310-C Process for preparing 3,3-dimethyl-2-formoyl cyclopropane carboxylic ester SUMITOMO CHEMICAL CO (JP) 2005-01-26 CN disclosed
WO-2004106305-A1 NEW P2X7 RECEPTOR ANTAGONISTS AND THEIR USE ASTRAZENECA AB (SE) 2004-12-09 WO disclosed
CN-1312244-A Process for preparing 3,3-dimethyl-2-formoyl cyclopropane carboxylic ester SUMITOMO CHEMICAL CO (JP) 2001-09-12 CN 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 (3 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-20130123505-A1 METHOD FOR PRODUCING CARBOXYLIC ACID AMIDE HCAR2, NAAA, FAAH2 EPHX1 1184/4885FABP7 3057/4885FABP5 2669/4885
US-20060293337-A1 P2x7 receptor antagonists and their use P2RX7, P2RX1, P2RX2 EPHX1 612/4885FABP7 1809/4885FABP5 2367/4885
US-20090143354-A1 P2X7 Receptor Antagonists and Their Use P2RX7, P2RX1, P2RX2 EPHX1 612/4885FABP7 1809/4885FABP5 2367/4885

“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.