SCHEMBL5040796

SCHEMBL5040796

COC(C(=O)NCc1ccc(C#N)cc1)c1c(F)cccc1OCCO

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
HIF1A Q16665 1/20 0.40
FAAH O00519 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTR1A P08908 3/20 0.37
DRD2 P14416 3/20 0.37
HTR7 P34969 2/20 0.37
HTR6 P50406 2/20 0.37
CARM1 Q86X55 2/20 0.37
PRMT6 Q96LA8 2/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
EPHX2 P34913 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
CNR2 P34972 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
VNN1 O95497 2/20 0.36

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
SCHEMBL5042636 0.90 HIF1A (0.46) PKMHIF1AALDH1A1HTR1ADRD2
SCHEMBL5042640 0.90 HIF1A (0.46) PKMHIF1AALDH1A1HTR1ADRD2
SCHEMBL5045409 0.89 KDM4E (0.42) PKMHIF1AFAAHALDH1A1CARM1
SCHEMBL5041550 0.89 PKM (0.48) PKMHIF1AALDH1A1CARM1PRMT6
SCHEMBL5041552 0.89 PKM (0.48) PKMHIF1AALDH1A1CARM1PRMT6
SCHEMBL5042657 0.89 HIF1A (0.41) PKMHIF1AFAAHALDH1A1HTR1A
SCHEMBL5037465 0.85 PKM (0.47) PKMHIF1AHTR1ADRD2HTR7
SCHEMBL5037467 0.85 PKM (0.47) PKMHIF1AHTR1ADRD2HTR7
SCHEMBL5042039 0.85 PKM (0.45) PKMHIF1AALDH1A1CARM1PRMT6
SCHEMBL5042034 0.85 PKM (0.45) PKMHIF1AALDH1A1CARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 PKM 4225/4885HIF1A 251/4885FAAH 212/4885

“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.