SCHEMBL3272269

SCHEMBL3272269

Cc1c(C)c(C=O)c2ccccc2c1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.48
ALDH1A1 P00352 4/20 0.42
ERN1 O75460 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 4/20 0.39
HTT P42858 4/20 0.39
NPSR1 Q6W5P4 4/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
TSHR P16473 1/20 0.38
CYP2C9 P11712 1/20 0.37
HPGD P15428 2/20 0.36
CYP3A4 P08684 1/20 0.36
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL1666901 0.91 PADI4 (0.48) PADI4ALDH1A1ERN1LMNAMAPT
SCHEMBL30229866 0.88 PADI4 (0.45) PADI4ALDH1A1ERN1LMNAMAPT
SCHEMBL9838922 0.88 PADI4 (0.45) PADI4ALDH1A1ERN1LMNAMAPT
SCHEMBL4164444 0.86 PADI4 (0.52) PADI4ALDH1A1ERN1LMNAMAPT
SCHEMBL29802335 0.86 PADI4 (0.52) PADI4ALDH1A1ERN1LMNAMAPT
SCHEMBL4776430 0.81 PADI4 (0.44) PADI4ALDH1A1ERN1LMNAMAPT
SCHEMBL3268833 0.81 PADI4 (0.64) PADI4ALDH1A1ERN1LMNAHTT
SCHEMBL5248091 0.79 CYP1A2 (0.36) PADI4ALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL7192168 0.79 CYP1A2 (0.36) PADI4ALDH1A1NPSR1L3MBTL1CYP1A2
SCHEMBL986883 0.77 PADI4 (0.64) PADI4ALDH1A1ERN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101310716-A Therapeutic agent TAKARA BIO INC (JP) 2008-11-26 CN claimed
CN-1791392-A Therapeutic agents TAKARA BIO INC (JP) 2006-06-21 CN claimed
EP-1914229-B1 NOVEL CERCOSPORAMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-06-16 EP disclosed
US-20090036492-A1 Novel Cercosporamide Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-05 US disclosed
CN-101310716-A Therapeutic agent TAKARA BIO INC (JP) 2008-11-26 CN disclosed
CN-100415218-C Therapeutic agents TAKARA BIO INC (JP) 2008-09-03 CN disclosed
EP-1914229-A1 NOVEL CERCOSPORAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-04-23 EP disclosed
CN-1791392-A Therapeutic agents TAKARA BIO INC (JP) 2006-06-21 CN disclosed
EP-0124992-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-05-29 EP disclosed
US-4680400-A Herbicidal cyclohexane-1,3-dione-5-isoquinoline derivatives ICI AUSTRALIA LIMITED (AU) 1987-07-14 US disclosed
US-4640708-A Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1987-02-03 US disclosed
EP-0124992-A1 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-11-14 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 (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-20090036492-A1 Novel Cercosporamide Derivative GPR119, CBR3, SLC5A2 PADI4 3251/4885ALDH1A1 381/4885ERN1 337/4885

“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.