SCHEMBL19405809

SCHEMBL19405809

CCCn1cc(O)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.44
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CAPN1 P07384 1/20 0.38
ADORA2B P29275 5/20 0.36
ADORA2A P29274 4/20 0.36
HSD17B3 P37058 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAP2K2 P36507 1/20 0.34
MAP2K1 Q02750 1/20 0.34
DRD2 P14416 1/20 0.33
ESR1 P03372 1/20 0.33

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
SCHEMBL19405788 0.89 TYR (0.47) TYRKDM4EALDH1A1ADORA2AHSD17B3
SCHEMBL9950301 0.83 KDM4E (0.40) KDM4EALDH1A1POLBMAPTHSD17B3
SCHEMBL6985244 0.76 KMT2A (0.43) TYRKDM4EALDH1A1POLBMAPT
SCHEMBL3161296 0.76 L3MBTL1 (0.45) KDM4EALDH1A1POLBMAPT
SCHEMBL14507697 0.74 TLR8 (0.45) KDM4EALDH1A1POLBMAPTADORA2B
SCHEMBL13239668 0.73 LMNA (0.41) TYRKDM4EALDH1A1POLBMAPT
SCHEMBL13384524 0.73 MAPT (0.37) TYRKDM4EALDH1A1POLBMAPT
SCHEMBL21395223 0.72 LMNA (0.59) KDM4EALDH1A1MAPTADORA2BADORA2A
SCHEMBL7247913 0.72
SCHEMBL8229121 0.71 TYR (0.43) TYRKDM4EALDH1A1POLBHSD17B3

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
CN-107207444-B Bicyclic compounds 武田药品工业株式会社 2020-07-24 CN disclosed
EP-3225618-B1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-05-06 EP disclosed
US-10301292-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-28 US disclosed
US-20180002322-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-01-04 US disclosed
EP-3225618-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-10-04 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-20180002322-A1 BICYCLIC COMPOUND ACACA, ACACB, ACAT1 TYR 2980/4885KDM4E 1753/4885ALDH1A1 355/4885
US-10301292-B2 Bicyclic compound ACACA, ACACB, ACAT1 TYR 2980/4885KDM4E 1753/4885ALDH1A1 355/4885

“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.