SCHEMBL257678

SCHEMBL257678

COC(=O)c1[nH]c(C(=O)c2ccccc2)cc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
TSHR P16473 2/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP3A4 P08684 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
BCL2 P10415 2/20 0.44
MCL1 Q07820 2/20 0.44
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
LMNA P02545 5/20 0.40
HTT P42858 5/20 0.40
GAA P10253 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 3/20 0.39
ABCC4 O15439 1/20 0.39

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
SCHEMBL15100750 0.79 TSHR (0.49) TSHRKMT2AMEN1CYP1A2CYP2C9
SCHEMBL13456131 0.78 CYP1A2 (0.36) TSHRKMT2AMEN1CYP1A2LMNA
SCHEMBL2404221 0.73 CYP1A2 (0.36) KMT2AMEN1CYP1A2LMNAHTT
SCHEMBL10939224 0.73 TSHR (0.57) TSHRKMT2AMEN1CYP1A2CYP2C9
SCHEMBL10936334 0.73 ALDH1A1 (0.57) TSHRKMT2AMEN1CYP1A2CYP2C9
SCHEMBL10308264 0.70 MAPK14 (0.49) CYP1A2GAAALDH1A1KDM4EKIF11
SCHEMBL11064057 0.70 GABRA1 (0.49) GABRA1GABRB1KMT2AMEN1CYP3A4
SCHEMBL257671 0.69 GABRA1 (0.46) GABRA1GABRB1TSHRKMT2ACYP1A2
SCHEMBL11064083 0.69 GABRA1 (0.48) GABRA1GABRB1KMT2ACYP3A4BCL2
Benzophenone SCHEMBL27524744 0.69 TSHR (0.86) TSHRKMT2AMEN1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895552-B2 Cyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-25 US disclosed
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-22 US disclosed
EP-2612848-A1 CYCLIC AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-07-10 EP disclosed
WO-2012029942-A1 CYCLIC AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2012-03-08 WO 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-20130217692-A1 CYCLIC AMIDE DERIVATIVE HDAC10, H1-10, H1-0 GABRA1 3213/4885GABRB1 2434/4885TSHR 914/4885

“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.