SCHEMBL8013452

SCHEMBL8013452

COC(=O)C1CCC(C(=O)O)O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 3/20 0.50
PTPN1 P18031 3/20 0.50
PPP1CC P36873 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
HIF1A Q16665 1/20 0.34
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PDK1 Q15118 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
PMP22 Q01453 1/20 0.33
TFPI2 P48307 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 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
SCHEMBL21987133 1.00 PPM1B (0.50) PPM1BPTPN1PPP1CCSMN1; SMN2CYP1A2
SCHEMBL16570723 0.91 PPM1B (0.47) PPM1BPTPN1PPP1CCSMN1; SMN2CYP1A2
SCHEMBL69736 0.91 PPM1B (0.47) PPM1BPTPN1PPP1CCSMN1; SMN2CYP1A2
SCHEMBL71007 0.82 PPM1B (0.44) PPM1BPTPN1PPP1CCSMN1; SMN2PDK1
SCHEMBL9601533 0.82 KDM4E (0.36) PPM1BPTPN1PPP1CCKDM4EGMNN
SCHEMBL68843 0.81 LMNA (0.46) PPM1BPTPN1PPP1CCSMN1; SMN2CYP1A2
SCHEMBL38319 0.81 LMNA (0.46) PPM1BPTPN1PPP1CCSMN1; SMN2CYP1A2
SCHEMBL17040641 0.79 PPM1B (0.47) PPM1BPTPN1PPP1CCSMN1; SMN2CYP1A2
SCHEMBL19088423 0.78 PPM1B (0.41) PPM1BPTPN1PPP1CCSMN1; SMN2ALDH1A1
SCHEMBL27449810 0.77 PPM1B (0.40) PPM1BPTPN1PPP1CCSMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988491-B2 Methods and compounds for producing nylon 6,6 EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2018-06-05 US claimed
US-20160264733-A1 METHODS AND COMPOUNDS FOR PRODUCING NYLON 6,6 EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2016-09-15 US claimed
EP-3060541-A1 METHODS AND COMPOUNDS FOR PRODUCING NYLON 6,6 Empire Technology Development LLC (US) 2016-08-31 EP claimed
EP-2780319-B1 METHOD FOR PRODUCING COMPOUNDS COMPRISING NITRILE FUNCTIONS RHODIA OPERATIONS (FR) 2016-03-30 EP claimed
WO-2015060827-A1 METHODS AND COMPOUNDS FOR PRODUCING NYLON 6,6 EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2015-04-30 WO claimed
US-8981128-B2 Process for producing compounds comprising nitrile functions RHODIA OPERATIONS (FR) 2015-03-17 US claimed
US-20140350265-A1 Method for producing compounds comprising nitrile functions RHODIA OPERATIONS (FR) 2014-11-27 US claimed
US-20140171663-A1 PROCESS FOR PRODUCING COMPOUNDS COMPRISING NITRILE FUNCTIONS RHODIA OPERATIONS (FR) 2014-06-19 US claimed
US-11905362-B2 Polymers and methods of producing thereof ORIGIN MATERIALS OPERATING, INC. (US) 2024-02-20 US disclosed
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
CN-111606804-B Method for preparing adipate derivatives 中国石油化工股份有限公司 2023-04-11 CN disclosed
CN-111606804-A Method for preparing adipate derivatives 中国石油化工股份有限公司 2020-09-01 CN disclosed
US-20140171663-A1 PROCESS FOR PRODUCING COMPOUNDS COMPRISING NITRILE FUNCTIONS RHODIA OPERATIONS (FR) 2014-06-19 US disclosed
US-6077952-A Cephaloporins and homologues PFIZER INC. (US) 2000-06-20 US disclosed
US-6020329-A Cephaloporins and homologues, preparations and pharmaceutical compositions PZIFER INC. (US) 2000-02-01 US disclosed
US-6001997-A Cephalosporins and homologues, preparations and pharmaceutical compositions BATESON JOHN HARGREAVES (GB) 1999-12-14 US disclosed
EP-0540609-A1 CEPHALOSPORINS AND HOMOLOGUES, PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS PFIZER INC. (US) 1993-05-12 EP disclosed
WO-1992001696-A1 CEPHALOSPORINS AND HOMOLOGUES, PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1992-02-06 WO 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 (4 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-20140350265-A1 Method for producing compounds comprising nitrile functions IDH2, FASN, NOS2 PPM1B 937/4885PTPN1 2186/4885PPP1CC 938/4885
US-11905362-B2 Polymers and methods of producing thereof HPD, PARN, PARG PPM1B 4238/4885PTPN1 3138/4885PPP1CC 1675/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 PPM1B 628/4885PTPN1 2256/4885PPP1CC 2210/4885
US-20140171663-A1 PROCESS FOR PRODUCING COMPOUNDS COMPRISING NITRILE FUNCTIONS FASN, OGDH, GLMN PPM1B 1722/4885PTPN1 3853/4885PPP1CC 2904/4885

“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.