SCHEMBL12930786

SCHEMBL12930786

CCOC(=O)C(C)C1=CCCc2c(F)cccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
NLRP3 Q96P20 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 2/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
ALOX5 P09917 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL13074756 0.84 AKR1C3 (0.39) PTGS2PTGS1LMNAKMT2ATSHR
SCHEMBL27799150 0.76 NLRP3 (0.41) ALDH1A1KDM4ENLRP3GAASMN1; SMN2
SCHEMBL12930790 0.75 MAPK14 (0.37) ALDH1A1PTGS2PTGS1GAALMNA
SCHEMBL12930796 0.69 MPO (0.45) ALDH1A1ALOX5TSHRTDP1
SCHEMBL3586115 0.69 PTGIR (0.40) KDM4ESMN1; SMN2PTGDR2
SCHEMBL15101383 0.69 ALDH1A1 (0.46) ALDH1A1KDM4ENLRP3GAASMN1; SMN2
SCHEMBL27799151 0.68 HTR1A (0.35) ALDH1A1KDM4ENLRP3GAALMNA
SCHEMBL6188617 0.67 GRIA4 (0.50) ALDH1A1PTGS2PTGS1LMNAKMT2A
SCHEMBL12930787 0.66 TSHR (0.44) ALDH1A1KDM4EPTGS2PTGS1NLRP3
SCHEMBL8104228 0.66 ALDH1A1 (0.55) ALDH1A1KDM4ENLRP3GAASMN1; SMN2

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-2427436-B1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2013-01-09 EP disclosed
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 US disclosed
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 US disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 US disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 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 (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-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands TRPV1, UTS2R, CNR2 ALDH1A1 2165/4885KDM4E 1680/4885PTGS2 3299/4885

“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.