SCHEMBL826778

SCHEMBL826778

O=[C]OCC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
LMNA P02545 1/20 0.39
SLC1A3 P43003 3/20 0.36
SLC1A2 P43004 3/20 0.36
SLC1A1 P43005 3/20 0.36
PARP15 Q460N3 3/20 0.34
PARP10 Q53GL7 3/20 0.34
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
CCNA1 P78396 2/20 0.32
CHRM5 P08912 2/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL5544544 1.00 CTSL (0.39) CTSLCTSBCTSKLMNASLC1A3
SCHEMBL5542797 1.00 CTSL (0.39) CTSLCTSBCTSKLMNASLC1A3
SCHEMBL457301 0.97
SCHEMBL317020 0.92
SCHEMBL133080 0.87
SCHEMBL6570617 0.77
SCHEMBL15689799 0.76 ACACB (0.30)
SCHEMBL5253989 0.76 TDP1 (0.38) CHRM2CHRM1
SCHEMBL18037054 0.76 ESR1 (0.31)
SCHEMBL5543962 0.76 NFE2L2 (0.39) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023160652-A1 SUBSTITUTED FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF 苏州亚宝药物研发有限公司 2023-08-31 WO claimed
EP-1480944-B1 SUBSTITUTED ARYL KETONES BAYER IP GMBH (DE) 2016-08-10 EP claimed
EP-1790639-B1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2014-03-26 EP claimed
US-7951816-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US claimed
US-7807703-B2 Herbicides; pesticides BAYER CROPSCIENCE AG (DE) 2010-10-05 US claimed
US-20090221596-A1 Substtituted aryl oximes BAYER CROPSCIENCE AG (DE) 2009-09-03 US claimed
US-20090042957-A1 Substituted Oxyarenes BAYER CROPSCIENCE AG (DE) 2009-02-12 US claimed
US-7419620-B2 Dichroic mixtures ROLIC LTD C/O ROLIC TECHNOLOGIES LTD (CH) 2008-09-02 US claimed
EP-1385914-B1 DICHROIC MIXTURE ROLIC AG (CH) 2008-07-23 EP claimed
CN-101128413-A Substituted oxyarenes BAYER CROPSCIENCE AG (DE) 2008-02-20 CN claimed
WO-1996018618-A1 3-ARYL-1,2,4-TRIAZOLE DERIVATIVES WITH HERBICIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 1996-06-20 WO claimed
WO-1996007647-A1 SUBSTITUTED PYRIMIDINE(THI)ONES BAYER AKTIENGESELLSCHAFT (DE) 1996-03-14 WO claimed
WO-1996007323-A1 SELECTIVE HERBICIDES BASED ON ARYL URACILS BAYER AKTIENGESELLSCHAFT (DE) 1996-03-14 WO claimed
WO-1996002523-A1 HERBICIDAL ARYLIMINO-SUBSTITUTED TRIAZOLES, THIADIAZOLES OR OXADIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1996-02-01 WO claimed
WO-1995031440-A1 SUBSTITUTED DIAZACYCLOHEXANDI(THI)ONES BAYER AKTIENGESELLSCHAFT (DE) 1995-11-23 WO claimed
WO-1995030661-A1 SUBSTITUTED AROMATIC THIOCARBOXYLIC ACID AMIDES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-11-16 WO claimed
US-5192754-A FISH STRESS RESISTANCE METHOD ROUSSEL UCLAF (FR) 1993-03-09 US claimed
US-5045108-A Herbicidal and plant growth-regulating N-aryl-pyrrol-L-one and isoindol-2-one compounds BAYER AKTIENGESELLSCHAFT (DE) 1991-09-03 US claimed
US-4962104-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-10-09 US claimed
EP-0374559-A2 Substituted-2-phenyl-2,2-difluoroethyl thiocarbonates, process for their preparation and their use as herbicides BAYER AG (DE) 1990-06-27 EP claimed

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-20090221596-A1 Substtituted aryl oximes CYP1A1, PRDX1, CYP1A2 CTSL 4096/4885CTSB 2594/4885CTSK 4362/4885
US-20090042957-A1 Substituted Oxyarenes CYP1A1, OXER1, CYP1A2 CTSL 3972/4885CTSB 2002/4885CTSK 3301/4885

“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.