SCHEMBL9109729

SCHEMBL9109729

Cc1coc2ccc3ccccc3c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
PTPN1 P18031 1/20 0.53
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 6/20 0.48
MAPT P10636 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 4/20 0.48
HPGD P15428 6/20 0.46
CYP3A4 P08684 3/20 0.46
TSHR P16473 3/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP1A2 P05177 3/20 0.45

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
SCHEMBL20106483 0.86 POLB (0.63) POLBPTPN1KDM4EALDH1A1MAPT
SCHEMBL31060111 0.86 POLB (0.63) POLBPTPN1KDM4EALDH1A1MAPT
SCHEMBL30009774 0.80 POLB (0.56) POLBPTPN1KDM4EALDH1A1MAPT
SCHEMBL30356339 0.80 POLB (0.46) POLBPTPN1KDM4EALDH1A1MAPT
SCHEMBL29315129 0.78 ALDH1A1 (0.46) POLBPTPN1KDM4EALDH1A1MAPT
SCHEMBL12278352 0.77 CES1 (0.39) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL7052888 0.77 KDM4E (0.55) POLBPTPN1KDM4EALDH1A1MAPT
SCHEMBL9109725 0.77 POLB (0.53) POLBPTPN1KDM4EALDH1A1MAPT
SCHEMBL29314362 0.77 CES1 (0.55) POLBPTPN1KDM4EALDH1A1MAPT
SCHEMBL23634825 0.77 TYMS (0.41) POLBPTPN1KDM4EALDH1A1MAPT

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-20210317109-A1 TRICYCLIC SUBSTITUTED PIPERIDINE DIONE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2021-10-14 US disclosed
CN-110312796-A Squalene hopplene cyclase and use thereof for producing ambergris ether 国际香料和香精公司 2019-10-08 CN disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 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-20210317109-A1 TRICYCLIC SUBSTITUTED PIPERIDINE DIONE COMPOUND CRBN, CLNS1A, ADRM1 POLB 2021/4885PTPN1 1110/4885KDM4E 2407/4885

“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.