SCHEMBL1500259

SCHEMBL1500259

COC(=O)CCN1Cc2cc(Br)ccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.47
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
CASP3 P42574 1/20 0.45
SDCBP O00560 2/20 0.43
SDC2 P34741 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.38
EGFR P00533 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SRD5A1 P18405 1/20 0.38

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
SCHEMBL2178732 0.93 HDAC6 (0.46) AOC3KDM4EALOX15TSHRSIRT1
SCHEMBL18766026 0.90 KDM4E (0.46) AOC3KDM4EALOX15TSHRSIRT1
SCHEMBL2180564 0.88 TNF (0.45) AOC3KDM4EALOX15TSHRSIRT1
SCHEMBL30350554 0.88 AOC3 (0.60) AOC3CASP3PRMT5WDR77ITGB3
SCHEMBL19510658 0.88 AOC3 (0.60) AOC3CASP3PRMT5WDR77ITGB3
SCHEMBL2179104 0.87 AOC3 (0.45) AOC3ALOX15CASP3SDCBPSDC2
SCHEMBL8046017 0.86 AOC3 (0.47) AOC3KDM4EALOX15TSHRSIRT1
SCHEMBL2181132 0.82 KDM4E (0.48) AOC3KDM4EALOX15TSHRSIRT1
SCHEMBL30434602 0.81 PARP1 (0.45) AOC3KDM4EALOX15SDCBPSDC2
SCHEMBL2144299 0.81 PARP1 (0.45) AOC3KDM4EALOX15SDCBPSDC2

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
US-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-30 US disclosed
US-7902369-B2 Diaryl-substituted five-membered heterocycle derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative MSD K.K. (JP) 2007-07-26 US disclosed
CN-1934094-A Diaryl substituted heterocyclic 5-membered ring derivatives BANYU PHARMA CO LTD (JP) 2007-03-21 CN disclosed
EP-1726585-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 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 (2 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-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE OPRK1, GRM1, GRIK1 AOC3 1912/4885KDM4E 3735/4885ALOX15 1308/4885
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative OPRK1, OPRL1, GRM1 AOC3 2406/4885KDM4E 4172/4885ALOX15 2061/4885

“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.