SCHEMBL257535

SCHEMBL257535

COc1cc(C(=O)Cc2ccccc2)ccc1C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
GRM1 Q13255 1/20 0.48
KDM4E B2RXH2 2/20 0.48
PLAU P00749 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
SRD5A2 P31213 2/20 0.47
CTNNB1 P35222 2/20 0.47
WNT3A P56704 2/20 0.47

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
SCHEMBL6204532 0.88 TAS1R3 (0.56) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL1515747 0.88 NPC1 (0.63) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL6060544 0.85 HTT (0.61) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL760057 0.84 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL7040136 0.82 CES2 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6575456 0.82 GAA (0.56) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL7823257 0.81 ALDH1A1 (0.61) SMN1; SMN2HPGDALDH1A1L3MBTL1KDM4E
SCHEMBL7047105 0.81 SMN1; SMN2 (0.80) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL7220907 0.81 MAPT (0.55) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL1515704 0.81 HTT (0.62) NPC1RAB9ASMN1; SMN2HPGDALDH1A1

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 NPC1 1990/4885RAB9A 361/4885SMN1; SMN2 2704/4885

“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.