SCHEMBL4126314

SCHEMBL4126314

CCOC(=O)c1ccc2c(c1)[nH]c1cc(C(F)(F)F)ccc12

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 3/20 0.58
MAPT P10636 3/20 0.58
HCRTR1 O43613 2/20 0.58
RAB9A P51151 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KIF11 P52732 8/20 0.54
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
IMPDH2 P12268 1/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 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
SCHEMBL6007665 0.89 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTHCRTR1RAB9A
SCHEMBL6009615 0.83 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTHCRTR1RAB9A
SCHEMBL70604 0.83 ALDH1A1 (0.81) ALDH1A1KDM4EMAPTHCRTR1RAB9A
SCHEMBL6009670 0.82 KDM4E (0.84) ALDH1A1KDM4EMAPTHCRTR1RAB9A
SCHEMBL8795255 0.82 ALOX15 (0.57) MAPT
SCHEMBL8540507 0.81 KDM4E (0.60) ALDH1A1KDM4EMAPTRAB9AMEN1
SCHEMBL11092135 0.80 KIF11 (0.44) ALDH1A1KDM4EMAPTHCRTR1MEN1
SCHEMBL11806405 0.80 KDM4E (0.50) ALDH1A1KDM4EMAPTHCRTR1RAB9A
SCHEMBL29777 0.80 MAPT (0.48) ALDH1A1KDM4EMAPTKIF11HPGD
SCHEMBL668192 0.79 CA12 (0.61) KDM4EMAPTRAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170882-A1 Methods and compositions CYTOKINETICS, INCORPORATED 2009-07-02 US disclosed
US-20090170882-A1 Methods and compositions CYTOKINETICS, INCORPORATED 2009-07-02 US disclosed
EP-1771176-A2 METHODS AND COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-11 EP disclosed
WO-2006005063-A2 METHODS AND COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-01-12 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-20090170882-A1 Methods and compositions KIF5B, KIF5C, KIF2C ALDH1A1 3367/4885KDM4E 2332/4885MAPT 47/4885

“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.