SCHEMBL1345129

SCHEMBL1345129

CC(C)(CN)CCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
TSHR P16473 6/20 0.48
HDAC11 Q96DB2 6/20 0.48
LMNA P02545 4/20 0.48
KMT2A Q03164 3/20 0.48
THRB P10828 2/20 0.48
BLM P54132 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
GABRR3 A8MPY1 1/20 0.48
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
HDAC3 O15379 1/20 0.48
GABBR2 O75899 1/20 0.48
CYP1A2 P05177 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRR1 P24046 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRR2 P28476 1/20 0.48

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 SCHEMBL29206869 0.98 KDM4E (0.56) KDM4ETSHRHDAC11LMNAKMT2A
SCHEMBL29065914 0.91 TDP1 (0.54) KDM4ETSHRHDAC11LMNAKMT2A
SCHEMBL1768629 0.86 KDM4E (0.56) KDM4ETSHRHDAC11LMNAKMT2A
SCHEMBL14359877 0.85 TDP1 (0.54) TSHRHDAC11LMNAKMT2ATDP1
SCHEMBL14360306 0.81 TDP1 (0.56) TSHRHDAC11LMNAKMT2ATDP1
SCHEMBL5302072 0.79 TDP1 (0.74) KDM4ETSHRHDAC11LMNAKMT2A
SCHEMBL15062352 0.79 TDP1 (0.48) TSHRHDAC11LMNAKMT2ATHRB
SCHEMBL27830424 0.79 TDP1 (0.60) TSHRHDAC11LMNAKMT2ATDP1
SCHEMBL6260811 0.77 TDP1 (0.46) TSHRHDAC11LMNAKMT2ATDP1
SCHEMBL22500641 0.77 AKR1B1 (0.52) TSHRHDAC11LMNAKMT2ABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828109-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH UCL BUSINESS PLC (GB) 2013-06-05 EP disclosed
US-8063104-B2 Guanidine derivatives as inhibitors of DDAH UCL BUSINESS PLC (GB) 2011-11-22 US disclosed
US-20090069331-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH UCL Biomedica PLC c/o Finance Division University College of London (GB) 2009-03-12 US disclosed
EP-1828109-A2 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH UCL Business PLC (GB) 2007-09-05 EP disclosed
WO-2006051314-A2 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH UCL BUSINESS PLC (GB) 2006-05-18 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 (1 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-20090069331-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH DDAH1, DOHH, IMPDH1 KDM4E 2153/4885TSHR 4080/4885HDAC11 2294/4885

“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.