SCHEMBL9028338

SCHEMBL9028338

COc1cc(CC(=O)N[C@H]2CC[C@H](C)CC2)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.60
TDP1 Q9NUW8 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
SIGMAR1 Q99720 2/20 0.56
CTSD P07339 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAS1R2 Q8TE23 1/20 0.52
TRPV1 Q8NER1 1/20 0.51
EPHX2 P34913 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALOX15 P16050 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALOX5 P09917 1/20 0.49
OR51E2 Q9H255 1/20 0.49

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
SCHEMBL2969801 1.00 GAA (0.60) GAATDP1ALDH1A1TSHRNFKB1
SCHEMBL13202133 1.00 GAA (0.60) GAATDP1ALDH1A1TSHRNFKB1
SCHEMBL9029618 0.89 ALOX5 (0.59) GAATAS1R3TAS1R1TAS1R2TRPV1
SCHEMBL9029611 0.89 ALOX5 (0.59) GAATAS1R3TAS1R1TAS1R2TRPV1
SCHEMBL2969065 0.89 SIGMAR1 (0.55) GAATDP1ALDH1A1TSHRNFKB1
SCHEMBL2978208 0.89 TRPV1 (0.58) GAATDP1ALDH1A1TSHRNFKB1
SCHEMBL2969069 0.89 SIGMAR1 (0.55) GAATDP1ALDH1A1TSHRNFKB1
SCHEMBL2978204 0.89 TRPV1 (0.58) GAATDP1ALDH1A1TSHRNFKB1
SCHEMBL9808765 0.88 EPHX2 (0.65) GAATDP1ALDH1A1TSHRNFKB1
SCHEMBL2976977 0.88 EPHX2 (0.65) GAATDP1ALDH1A1TSHRNFKB1

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-7767854-B2 N-substituted phenylacetamide derivative and pharmaceutical composition containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-03 US disclosed
US-20090082463-A1 N-substituted phenylacetamide derivative and pharmaceutical composition containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-03-26 US disclosed
EP-0535250-B1 NOVEL COMPOUNDS AND USE THEREOF AS MEDICINE TSUMURA & CO (JP) 1996-06-19 EP disclosed
EP-0705817-A1 New cannamide derivatives and their use as allergy inhibitors TSUMURA & CO. (JP) 1996-04-10 EP disclosed
US-5344845-A Methyl 4(4-acetoxy-3-methoxycinnamanide and salts as an immunosuppressive drug for allergic reactions TSUMURA & CO. (JP) 1994-09-06 US disclosed
EP-0535250-A1 NOVEL COMPOUNDS AND USE THEREOF AS MEDICINE TSUMURA & CO. (JP) 1993-04-07 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 (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-20090082463-A1 N-substituted phenylacetamide derivative and pharmaceutical composition containing the same HRH4, HRH2, CNR2 GAA 4360/4885TDP1 4061/4885ALDH1A1 321/4885

“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.