SCHEMBL9068964

SCHEMBL9068964

CCC(CC)NC(=O)CCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.49
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
PHF8 Q9UPP1 5/20 0.46
KDM2A Q9Y2K7 5/20 0.46
KDM4E B2RXH2 3/20 0.46
KDM5C P41229 3/20 0.46
EGLN1 Q9GZT9 2/20 0.46
KDM6B O15054 1/20 0.46
FOLH1 Q04609 1/20 0.46
KDM7A Q6ZMT4 1/20 0.45
PLA2G10 O15496 2/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP8 P22894 1/20 0.43
CA9 Q16790 1/20 0.43
MME P08473 1/20 0.42

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
SCHEMBL20988079 0.82 DNM1 (0.44) PLA2G2CLMNAPOLBKDM4EPLA2G10
SCHEMBL13850710 0.82 CA12 (0.43) PLA2G2CLMNAPOLBKDM4EPLA2G10
SCHEMBL12220635 0.82 PLA2G10 (0.50) PLA2G2CPHF8KDM2AKDM4EKDM5C
SCHEMBL19520081 0.81 HDAC3 (0.50) PLA2G2CLMNAPOLBPLA2G10CA12
SCHEMBL13458546 0.80 SMN1; SMN2 (0.53) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL799655 0.80 SMN1; SMN2 (0.53) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL20987985 0.78 PHF8 (0.54) PLA2G2CLMNAPOLBPHF8KDM2A
SCHEMBL12655871 0.78 GNPAT (0.56) POLBPHF8KDM2AKDM4EKDM5C
SCHEMBL7158525 0.78 PHF8 (0.43) PLA2G2CLMNAPHF8KDM2AKDM4E
SCHEMBL8367141 0.77 DNM1 (0.48) PLA2G2CLMNAPOLBKDM4ECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696707-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2020-06-30 US disclosed
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2019-05-09 US disclosed
US-10246478-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2019-04-02 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
US-8293933-B2 Method of producing substance immobilizing carrier DAI NIPPON PRINTING CO., LTD. (JP) 2012-10-23 US disclosed
US-20110257028-A1 Method for selectively binding a substrate to sorbents by way of at least bivalent bonds INSTRACTION GMBH (DE) 2011-10-20 US disclosed
US-20110257028-A1 Method for selectively binding a substrate to sorbents by way of at least bivalent bonds INSTRACTION GMBH (DE) 2011-10-20 US disclosed
US-20090149667-A1 METHOD OF PRODUCING SUBSTANCE IMMOBILIZING CARRIER DAI NIPPON PRINTING CO., LTD. (JP) 2009-06-11 US disclosed
US-5484771-A RIBONUCLEOTIDE REDUCTASE INHIBITORS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-01-16 US disclosed
EP-0461546-B1 Antiherpes peptide derivatives having a 1,4-dioxo-C4 N-terminus BIO MEGA BOEHRINGER INGELHEIM (CA) 1995-03-22 EP disclosed
EP-0461546-A2 Antiherpes peptide derivatives having a 1,4-dioxo-C4 N-terminus BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-12-18 EP 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 (6 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-20110257028-A1 Method for selectively binding a substrate to sorbents by way of at least bivalent bonds SPR, ABCG2, SHBG PLA2G2C 2430/4885LMNA 3358/4885POLB 1246/4885
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 PLA2G2C 3217/4885LMNA 742/4885POLB 801/4885
US-10246478-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 PLA2G2C 3217/4885LMNA 742/4885POLB 801/4885
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 PLA2G2C 3217/4885LMNA 742/4885POLB 801/4885
US-20090149667-A1 METHOD OF PRODUCING SUBSTANCE IMMOBILIZING CARRIER HCAR2, CA14, HCAR1 PLA2G2C 1537/4885LMNA 3112/4885POLB 4151/4885
US-10696707-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 PLA2G2C 3217/4885LMNA 742/4885POLB 801/4885

“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.