SCHEMBL3820588

SCHEMBL3820588

CC(C)Cc1ccc(C(CCCN(C)C)C(N)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.55
ALOX5 P09917 2/20 0.54
PTGS1 P23219 4/20 0.48
PTGS2 P35354 4/20 0.48
CXCR1 P25024 3/20 0.45
CXCR2 P25025 3/20 0.45
LMNA P02545 2/20 0.45
CYP2C9 P11712 2/20 0.45
AKR1C3 P42330 2/20 0.45
ALB P02768 1/20 0.45
ESR1 P03372 1/20 0.45
RARB P10826 1/20 0.45
ADRB3 P13945 1/20 0.45
NFKB1 P19838 1/20 0.45
HTR2A P28223 1/20 0.45
NR1I3 Q14994 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
CXCL8 P10145 1/20 0.45
TSHR P16473 1/20 0.45
AKR1C2 P52895 1/20 0.45

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
SCHEMBL3817988 0.96 EPHX1 (0.54) EPHX1ALOX5PTGS1PTGS2CXCR1
Hydrochloric Acid SCHEMBL4910410 0.82 EPHX1 (0.56) EPHX1ALOX5PTGS1PTGS2CXCR1
SCHEMBL22322971 0.81 HTR2A (0.59) EPHX1ALOX5LMNAHTR2ATSHR
SCHEMBL4903456 0.81 CHRM1 (0.41) EPHX1ALOX5LMNAHTR2ACHRM1
Hydrochloric Acid SCHEMBL4911395 0.76 EPHX1 (0.49) EPHX1ALOX5PTGS1PTGS2CXCR1
SCHEMBL4912298 0.74 EPHX1 (0.47) EPHX1ALOX5PTGS1PTGS2CXCR1
SCHEMBL4743213 0.74 EPHX1 (0.50) EPHX1ALOX5PTGS1PTGS2CXCR1
Hydrochloric Acid SCHEMBL4423787 0.74 EPHX1 (0.50) EPHX1ALOX5PTGS1PTGS2CXCR1
SCHEMBL14798227 0.73 EPHX1 (0.49) EPHX1ALOX5PTGS1PTGS2CXCR1
SCHEMBL13254979 0.73 TSHR (0.52) EPHX1ALOX5PTGS1PTGS2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO., LTD. (CN) 2009-09-24 US claimed

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-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES EPHX1 79/4885ALOX5 166/4885PTGS1 4/4885

“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.