SCHEMBL4097800

SCHEMBL4097800

O=C(O)c1cc(NCCc2ccc(C(F)(F)F)c(F)c2)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.52
STING1 Q86WV6 1/20 0.52
KDM4C Q9H3R0 3/20 0.49
LCK P06239 3/20 0.45
NOX4 Q9NPH5 2/20 0.44
ALDH1A1 P00352 2/20 0.44
EGFR P00533 2/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
RGS12 O14924 1/20 0.44
CAMKK2 Q96RR4 1/20 0.44
SYK P43405 3/20 0.42
KLKB1 P03952 1/20 0.41
CTSB P07858 1/20 0.41
MMP9 P14780 1/20 0.41
DNMT1 P26358 1/20 0.41
DNMT3B Q9UBC3 1/20 0.41
DNMT3L Q9UJW3 1/20 0.41
DNMT3A Q9Y6K1 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL4095655 0.91 PPARA (0.52) PPARASTING1KDM4CLCKNOX4
SCHEMBL610930 0.86 PPARA (0.57) PPARASTING1KDM4CLCKNOX4
SCHEMBL29391594 0.86 PPARA (0.57) PPARASTING1KDM4CLCKNOX4
SCHEMBL608498 0.83 KDM4C (0.53) PPARASTING1KDM4CLCKNOX4
SCHEMBL4116154 0.81 KDM4C (0.52) PPARASTING1KDM4CLCKNOX4
SCHEMBL28928409 0.81 PPARA (0.52) PPARASTING1KDM4CLCKNOX4
SCHEMBL4100274 0.81 PPARA (0.52) PPARASTING1KDM4CLCKNOX4
SCHEMBL608886 0.80 KDM4C (0.50) PPARASTING1KDM4CLCKNOX4
SCHEMBL29390970 0.80 CNR1 (0.52) PPARASTING1KDM4CLCKNOX4
SCHEMBL608043 0.80 CNR1 (0.52) PPARASTING1KDM4CLCKNOX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120301551-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING NEURONAL DEATH OR NEUROLOGICAL DYSFUNCTION NEUROTECH PHARMACEUTICALS CO., LTD. (KR) 2012-11-29 US disclosed
US-20090149542-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING NEURONAL DEATH OR NEUROLOGICAL DYSFUNCTION NEUROTECH PHARMACEUTICALS CO., LTD. (KR) 2009-06-11 US disclosed
US-20070298129-A1 Compounds and compositions for treating neuronal death or neurological dysfunction NEUROTECH PHARMACEUTICALS CO., LTD. (KR) 2007-12-27 US 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 (3 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-20090149542-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING NEURONAL DEATH OR NEUROLOGICAL DYSFUNCTION BCL2, BAX, SMN1; SMN2 PPARA 1265/4885STING1 3945/4885KDM4C 3544/4885
US-20120301551-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING NEURONAL DEATH OR NEUROLOGICAL DYSFUNCTION BCL2, BAX, SMN1; SMN2 PPARA 1265/4885STING1 3945/4885KDM4C 3544/4885
US-20070298129-A1 Compounds and compositions for treating neuronal death or neurological dysfunction BCL2, BAX, SMN1; SMN2 PPARA 1265/4885STING1 3945/4885KDM4C 3544/4885

“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.