SCHEMBL407297

SCHEMBL407297

O=CC(O)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 2/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADH1B P00325 2/20 0.39
ADH1C P00326 2/20 0.39
ADH1A P07327 2/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.35
HIF1A Q16665 1/20 0.33

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
SCHEMBL13953119 1.00 EPHX1 (0.41) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL22081103 1.00 EPHX1 (0.41) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL3805027 1.00 EPHX1 (0.41) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL7524414 0.97
Acetic Acid SCHEMBL27595094 0.91 EPHX1 (0.40) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL17670674 0.86
SCHEMBL24355253 0.75 DPP4 (0.33)
SCHEMBL24355538 0.75 DPP4 (0.33)
SCHEMBL13266401 0.75 DPP4 (0.42)
SCHEMBL8902005 0.74 TP53 (0.41) EPHX1TP53KDM4EGMNNLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101558059-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-12-03 CN claimed
CN-101558059-A Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-10-14 CN claimed
CN-104447707-B Hepatitis c virus inhibitors 百时美施贵宝公司 2017-04-12 CN disclosed
CN-104447707-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2015-03-25 CN disclosed
CN-101558059-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-12-03 CN disclosed
CN-102007122-B Imidazolyl biphenyl imidazoles as hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2013-09-04 CN disclosed
EP-2595975-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX Corning Incorporated (US) 2013-05-29 EP disclosed
WO-2013018626-A1 METHOD FOR PRODUCING ALPHA-KETOALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-07 WO disclosed
US-20120329865-A1 MOLECULES RELATED hERG ION CHANNELS AND THE USE THEREOF CORNING INCORPORATED 2012-12-27 US disclosed
US-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED 2012-01-26 US disclosed
WO-2012012278-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED (US) 2012-01-26 WO disclosed
CN-1890238-A Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARM GMBH (DE) 2007-01-03 CN disclosed
US-6284932-B1 Method for producing alcohols containing cycloaliphatic groups BASF AKTIENGESELLSCHAFT (DE) 2001-09-04 US disclosed
WO-2000023608-A1 PREPARATION OF AMINO ALCOHOLS DSM BIOTECH GMBH (DE) 2000-04-27 WO disclosed
US-4507291-A Arthropod repellents ROHM AND HAAS COMPANY (US) 1985-03-26 US disclosed
US-4405630-A AZASPIRO COMPOUNDS ROHM AND HAAS COMPANY (US) 1983-09-20 US disclosed
US-4400512-A INSECT REPELLENTS ROHM AND HAAS COMPANY (US) 1983-08-23 US disclosed
US-4374991-A INSECT REPELLENTS ROHM AND HAAS COMPANY (US) 1983-02-22 US disclosed
US-4357471-A INSECT REPELLENTS ROHM AND HAAS COMPANY (US) 1982-11-02 US disclosed
US-3940446-A Dehydrogenation of alcohols UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-02-24 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 (2 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-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX GPR35, GPR65, GPR68 EPHX1 1619/4885TP53 3443/4885KDM4E 4643/4885
US-20120329865-A1 MOLECULES RELATED hERG ION CHANNELS AND THE USE THEREOF KCNH2, KCNJ2, KCNH3 EPHX1 1632/4885TP53 3030/4885KDM4E 1668/4885

“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.