SCHEMBL4616764

SCHEMBL4616764

Cc1c(C(=O)O)[nH]c2ccc(C(F)(F)F)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
KIF11 P52732 4/20 0.55
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.55
PKM P14618 1/20 0.55
NPY1R P25929 1/20 0.55
NPY2R P49146 1/20 0.55
GPR35 Q9HC97 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.47
CLK1 P49759 1/20 0.47
MAPK1 P28482 1/20 0.47
MAP2K4 P45985 1/20 0.47
MAPKAPK3 Q16644 1/20 0.47
MAPK6 Q16659 1/20 0.47
MCL1 Q07820 2/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
DHODH Q02127 1/20 0.46

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
Guanidine SCHEMBL8688379 0.92 KMT2A (0.56) KMT2AMEN1KIF11ALDH1A1POLB
SCHEMBL8689814 0.89 MEN1 (0.62) KMT2AMEN1KIF11ALDH1A1POLB
SCHEMBL31025910 0.88 MAPT (0.55) KMT2AMEN1KIF11ALDH1A1GPR35
SCHEMBL2730323 0.79 ALDH1A1 (0.59) KMT2AMEN1KIF11ALDH1A1POLB
SCHEMBL16729570 0.78 MEN1 (0.64) KMT2AMEN1KIF11ALDH1A1KDM4E
SCHEMBL2816058 0.78 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1POLBPKM
SCHEMBL5962663 0.77 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1POLBPKM
SCHEMBL7080072 0.77 KDM4E (0.75) KMT2AMEN1KIF11ALDH1A1POLB
SCHEMBL13983383 0.76 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1POLBPKM
SCHEMBL3095750 0.76 RXFP1 (0.68) KMT2AMEN1ALDH1A1POLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
EP-1697304-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
WO-2005054176-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-16 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-20070082907-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD KMT2A 3277/4885MEN1 4826/4885KIF11 2068/4885

“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.