SCHEMBL852964

SCHEMBL852964

COC(=O)c1cc(CN)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA7 P43166 2/20 0.61
CA9 Q16790 2/20 0.61
CA14 Q9ULX7 2/20 0.61
LOXL2 Q9Y4K0 2/20 0.56
GAA P10253 3/20 0.54
ALDH1A1 P00352 3/20 0.54
TSHR P16473 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 1/20 0.50
PTGS2 P35354 1/20 0.50
EGFR P00533 3/20 0.49
NOX4 Q9NPH5 1/20 0.48
PDK2 Q15119 1/20 0.47

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
Hydrochloric Acid SCHEMBL1165499 0.98 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL1165530 0.86 GAA (0.62) CA12CA1CA2CA7CA9
SCHEMBL10628012 0.86 TSHR (0.67) CA12CA1CA2CA7CA9
SCHEMBL646876 0.86 CA12 (0.65) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL2894768 0.85 GAA (0.60) CA12CA1CA2CA7CA9
SCHEMBL30949369 0.84 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL8887162 0.84 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL10809277 0.83 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL20887338 0.83 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL14081421 0.83 ALDH1A1 (0.78) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113402491-A Coumarin amide compound and preparation method and application thereof 山东大学苏州研究院 2021-09-17 CN claimed
CN-113402491-A Coumarin amide compound and preparation method and application thereof 山东大学苏州研究院 2021-09-17 CN disclosed
US-10898594-B2 PAMAM dendrimer based CEST imaging agents and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-01-26 US disclosed
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed
WO-2017075171-A2 PAMAM DENDRIMER BASED CEST IMAGING AGENTS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2017-05-04 WO disclosed
US-9527840-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2016-12-27 US disclosed
US-9527840-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2016-12-27 US disclosed
US-9527840-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2016-12-27 US disclosed
EP-3101018-A1 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma L.P. (US) 2016-12-07 EP disclosed
US-20110039808-A1 Multitarget Compounds Active at a PPAR and Cannabinoid Receptor NOGRA PHARMA LIMITED (IE) 2011-02-17 US disclosed
CN-101878208-A Quinoxaline-type-piperidine compounds that replaces and uses thereof PURDUE PHARMA LP 2010-11-03 CN disclosed
EP-2222287-A2 MULTITARGET COMPOUNDS ACTIVE AT A PPAR AND CANNABINOID RECEPTOR Giuliani International Limited (IE) 2010-09-01 EP disclosed
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2010-08-26 US disclosed
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2010-08-26 US disclosed
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2010-08-26 US disclosed
EP-2086958-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma LP (US) 2009-08-12 EP disclosed
WO-2009080821-A2 RECEPTOR TARGETING LIGANDS GIULIANI INTERNATIONAL LIMITED (IE) 2009-07-02 WO disclosed
WO-2009027820-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (DE) 2009-03-05 WO disclosed
WO-2009027820-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (DE) 2009-03-05 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 (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-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof P2RX4, P2RX5, P2RX3 CA12 4743/4885CA1 2729/4885CA2 2220/4885
US-10898594-B2 PAMAM dendrimer based CEST imaging agents and uses thereof PAM, CEPT1, FHIT CA12 39/4885CA1 484/4885CA2 2080/4885
US-20110039808-A1 Multitarget Compounds Active at a PPAR and Cannabinoid Receptor PPARA, PPARG, PPARD CA12 4243/4885CA1 4364/4885CA2 2980/4885

“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.