SCHEMBL328553

SCHEMBL328553

O=C(O)CCC12CC3CC(CCC(=O)O)(C1)CC(CCC(=O)O)(C3)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
GAA P10253 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
LMNA P02545 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
HSD11B1 P28845 3/20 0.33
GRM2 Q14416 2/20 0.33
GRM5 P41594 1/20 0.33
GRM1 Q13255 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
SCHEMBL31171976 0.91 EPHX2 (0.38) POLBALDH1A1KDM4EHTTGRIN2D
SCHEMBL15257513 0.90 GRIN2D (0.48) POLBGAAALDH1A1KDM4EHTT
SCHEMBL2438575 0.87 POLB (0.50) POLBGAAALDH1A1KDM4EHTT
SCHEMBL6159632 0.85 GRIN1 (0.58) HTTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2443279 0.83 LMNA (0.44) KDM4ELMNAALKBH5SUCNR1EGLN1
SCHEMBL1323193 0.82 EPHX2 (0.48) POLBALDH1A1KDM4EHTTGRIN2D
SCHEMBL6858927 0.82 EPHX2 (0.48) POLBALDH1A1KDM4EHTTGRIN2D
SCHEMBL18697070 0.79 GRIN2D (0.49) POLBGAAALDH1A1KDM4EHTT
SCHEMBL10590512 0.78 KDM4E (0.34) POLBALDH1A1KDM4EHTTLMNA
SCHEMBL6858925 0.78 POLB (0.46) POLBGAAALDH1A1KDM4EHTT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108546224-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-05-27 CN claimed
CN-108546224-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-05-27 CN disclosed
US-8785641-B2 Synthesis of tripodal catechol derivatives having an adamantyl basic framework for functionalizing surfaces JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2014-07-22 US disclosed
EP-2428517-B1 Synthesis of tripodal bisphosphonate derivatives with an adamantyl base for functionalising surfaces UNIV GIESSEN JUSTUS LIEBIG (DE) 2013-11-06 EP disclosed
US-20130245269-A1 Synthesis of Tripodal Catechol Derivatives Having an Adamantyl Basic Framework for Functionalizing Surfaces JUSTUS-LIEBIG-UNIVERSITA GIESSEN (DE) 2013-09-19 US disclosed
US-20130217916-A1 Synthesis of Tripodal Bisphosphonate Derivatives Having an Adamantyl Basic Framework for Functionalizing Surfaces JÜSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2013-08-22 US disclosed
US-20130217916-A1 Synthesis of Tripodal Bisphosphonate Derivatives Having an Adamantyl Basic Framework for Functionalizing Surfaces JÜSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2013-08-22 US disclosed
WO-2012032084-A1 SYNTHESIS OF TRIPODAL CATECHOL DERIVATIVES HAVING AN ADAMANTYL BASIC FRAMEWORK FOR FUNCTIONALIZING SURFACES JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2012-03-15 WO disclosed
WO-2012032089-A1 SYNTHESIS OF TRIPODAL BISPHOSPHONATE DERIVATIVES HAVING AN ADAMANTYL BASIC FRAMEWORK FOR FUNCTIONALIZING SURFACES JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2012-03-15 WO disclosed
EP-2428517-A1 Synthesis of tripodal bisphosphonate derivatives with an adamantyl base for functionalising surfaces Justus-Liebig-Universität Gießen (DE) 2012-03-14 EP disclosed
EP-2428502-A1 Synthesis of tripodal catechol derivatives with an adamantyl base for functionalising surfaces Justus-Liebig-Universität Gießen (DE) 2012-03-14 EP disclosed
US-8022151-B2 Adamantane derivative, method for producing the same, resin composition containing the adamantane derivative and use thereof IDEMITSU KOSAN CO., LTD. (JP) 2011-09-20 US disclosed
US-20100093947-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME, RESIN COMPOSITION CONTAINING THE ADAMANTANE DERIVATIVE AND USE THEREOF IDEMITSU KOSAN CO., LTD. (JP) 2010-04-15 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-20130245269-A1 Synthesis of Tripodal Catechol Derivatives Having an Adamantyl Basic Framework for Functionalizing Surfaces CHRM1, CHRM5, CHRM4 POLB 2857/4885GAA 2759/4885ALDH1A1 465/4885
US-20130217916-A1 Synthesis of Tripodal Bisphosphonate Derivatives Having an Adamantyl Basic Framework for Functionalizing Surfaces NR3C2, CHRND, NR3C1 POLB 1978/4885GAA 3822/4885ALDH1A1 1309/4885

“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.