SCHEMBL513256

SCHEMBL513256

Oc1cccc2o[c]cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.38
ALOX15 P16050 3/20 0.38
RECQL P46063 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 2/20 0.38
APP P05067 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
SNCA P37840 1/20 0.38
MAOA P21397 3/20 0.36
EGFR P00533 3/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.35
CA2 P00918 2/20 0.35
FYN P06241 2/20 0.35
MMP9 P14780 2/20 0.35
CDK2 P24941 2/20 0.35

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
SCHEMBL513244 0.74
SCHEMBL7460822 0.69 ALDH1A1 (0.37) HPGDHSD17B10TDP1MAPTTSHR
SCHEMBL5541316 0.69 GABRA1 (0.39) HPGDCYP1A2TSHRLMNACA2
SCHEMBL18936084 0.67
SCHEMBL6364597 0.67 TDP1 (0.59) TDP1MAPTTSHRALDH1A1POLB
SCHEMBL5544258 0.66 EPHX2 (0.38) MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL2518542 0.64 ALDH1A1 (0.50) HPGDHSD17B10TDP1MAPTCYP1A2
SCHEMBL29875889 0.64 MAOA (0.45) HPGDHSD17B10ALOX15RECQLTDP1
SCHEMBL275378 0.64 MAOA (0.45) HPGDHSD17B10ALOX15RECQLTDP1
SCHEMBL29351230 0.64 IDO1 (0.73) HPGDHSD17B10ALOX15RECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP claimed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 US claimed
US-10251396-B2 Amide compound and use of same for noxious arthropod control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-04-09 US disclosed
US-20170295789-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-19 US disclosed
EP-3178322-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL Sumitomo Chemical Company Limited (JP) 2017-06-14 EP disclosed
EP-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP disclosed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 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 (3 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-20170295789-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL OPRM1, TRPA1, L3MBTL3 HPGD 2430/4885HSD17B10 2757/4885ALOX15 331/4885
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 HPGD 1718/4885HSD17B10 3593/4885ALOX15 1006/4885
US-10251396-B2 Amide compound and use of same for noxious arthropod control OPRM1, TRPA1, L3MBTL3 HPGD 2430/4885HSD17B10 2757/4885ALOX15 331/4885

“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.