SCHEMBL9018477

SCHEMBL9018477

O=C(O)C=C(Oc1ccc(OC(F)(F)F)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
EPHX2 P34913 2/20 0.46
GAA P10253 2/20 0.42
AURKA O14965 1/20 0.41
TPX2 Q9ULW0 1/20 0.41
FAAH O00519 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
SERPINE1 P05121 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
MAPT P10636 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
PIM1 P11309 1/20 0.38
CYP2D6 P10635 1/20 0.38
GRIK1 P39086 1/20 0.37

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
SCHEMBL9018474 1.00 KMT2A (0.49) KMT2AEPHX2GAAAURKATPX2
SCHEMBL6191252 0.83 NR4A1 (0.51) ALDH1A1
SCHEMBL6191253 0.83 NR4A1 (0.51) ALDH1A1
SCHEMBL9683421 0.82 KMT2A (0.41) KMT2AALDH1A1
SCHEMBL9683417 0.82 KMT2A (0.41) KMT2AALDH1A1
SCHEMBL9685241 0.80 TDP1 (0.42) ALDH1A1MAPT
SCHEMBL10792060 0.80 TDP1 (0.42) ALDH1A1MAPT
SCHEMBL8228620 0.80 TDP1 (0.42) ALDH1A1MAPT
SCHEMBL23493346 0.75 EPHX2 (0.57) KMT2AEPHX2GAAAURKATPX2
SCHEMBL10339425 0.75 EPHX2 (0.57) KMT2AEPHX2GAAAURKATPX2

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
US-20070155783-A1 Substituted cyclohexyl and piperidinyl derivates as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-07-05 US disclosed
US-20070155783-A1 Substituted cyclohexyl and piperidinyl derivates as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-07-05 US disclosed
US-20070037823-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-02-15 US disclosed
US-20070037823-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-02-15 US disclosed
US-5563280-A CONTROLLING MONOCOTYLEDENOUS WEEDS IN CROPS AMERICAN CYANAMID CO. (US) 1996-10-08 US disclosed
EP-0694257-A1 4-Phenoxycoumarins and thio derivatives thereof, their preparation and use as herbicides AMERICAN CYANAMID COMPANY (US) 1996-01-31 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 (2 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-20070037823-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R KMT2A 699/4885EPHX2 4764/4885GAA 3903/4885
US-20070155783-A1 Substituted cyclohexyl and piperidinyl derivates as melanocortin-4 receptor modulators MC4R, MC5R, MC3R KMT2A 924/4885EPHX2 4647/4885GAA 3177/4885

“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.