SCHEMBL9696685

SCHEMBL9696685

CC(Cc1ccccc1)OC(=O)CC(=O)OC(C)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CTSK P43235 2/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSH P09668 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 2/20 0.47
LMNA P02545 1/20 0.47
TAAR1 Q96RJ0 3/20 0.47
SLC18A2 Q05940 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
ACE P12821 1/20 0.46
MAPK1 P28482 1/20 0.46
SRR Q9GZT4 1/20 0.46

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
SCHEMBL6503415 0.93 TSHR (0.51) TSHRNPC1RAB9ACTSKCTSL
Potassium Ion SCHEMBL28727524 0.88 TSHR (0.47) TSHRNPC1RAB9ACTSKCTSL
SCHEMBL16521417 0.87 TDP1 (0.50) TSHRNPC1RAB9ACTSKCTSL
SCHEMBL4965733 0.87 TSHR (0.53) TSHRNPC1RAB9ACTSKCTSL
SCHEMBL22474284 0.85 TSHR (0.51) TSHRNPC1RAB9ACTSKCTSL
SCHEMBL29242751 0.85 TSHR (0.51) TSHRNPC1RAB9ACTSKCTSL
SCHEMBL9831570 0.85 TSHR (0.51) TSHRNPC1RAB9ACTSKCTSL
SCHEMBL10658684 0.85 NPC1 (0.55) TSHRNPC1RAB9ACTSKCTSL
SCHEMBL1838248 0.84 SLC6A2 (0.54) TSHRNPC1RAB9ACTSKCTSL
SCHEMBL6826673 0.84 TSHR (0.53) TSHRNPC1RAB9ACTSKCTSL

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
CN-105980345-B Method for continuously producing ketomalonic acid compound using flow reactor 组合化学工业株式会社 2019-12-20 CN disclosed
EP-2476682-B1 8-OXODIHYDROPURINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2017-04-26 EP disclosed
US-8735406-B2 8-oxodihydropurine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-05-27 US disclosed
EP-2476682-A1 8-OXODIHYDROPURINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-07-18 EP disclosed
US-20120172347-A1 8-OXODIHYDROPURINE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-05 US disclosed
EP-0489933-A1 BILE ALCOHOL AND DRUG CONTAINING THE SAME AS ACTIVE INGREDIENT TSUMURA CO., LTD. (JP) 1992-06-17 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-20120172347-A1 8-OXODIHYDROPURINE DERIVATIVE FAAH, FAAH2, TPMT TSHR 3750/4885NPC1 1796/4885RAB9A 1583/4885

“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.