SCHEMBL8790648

SCHEMBL8790648

COC(=O)c1ccccc1-c1ccc(C)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.50
SLC6A4 P31645 3/20 0.50
SLC6A2 P23975 1/20 0.48
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 4/20 0.46
CFTR P13569 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.45
HPGD P15428 2/20 0.44
MYC P01106 1/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43
MAPK10 P53779 1/20 0.43
PTK2B Q14289 1/20 0.43

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
SCHEMBL17010932 0.88 SLC6A3 (0.54) SLC6A3SLC6A4SLC6A2LMNATSHR
SCHEMBL30284984 0.84 HPGD (0.51) SLC6A3SLC6A4SLC6A2LMNATSHR
SCHEMBL12712110 0.83 CYP46A1 (0.45) LMNAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL25450956 0.81 SLC6A3 (0.48) SLC6A3SLC6A4SLC6A2LMNATSHR
SCHEMBL12712112 0.81 CYP46A1 (0.43) LMNAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL12712127 0.81 CYP46A1 (0.43) LMNAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL14080168 0.80 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2LMNATSHR
SCHEMBL24800447 0.80 BCAT2 (0.50) LMNATSHRALDH1A1HSD17B10KDM4E
SCHEMBL8791050 0.79 SLC6A3 (0.48) SLC6A3SLC6A4SLC6A2LMNATSHR
SCHEMBL69464 0.78 SLC6A3 (0.67) SLC6A3SLC6A4SLC6A2LMNATSHR

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
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-03-02 US disclosed
EP-0652869-B1 IMIDAZOLE ETHERS HAVING A II ANTAGONIST ACTIVITY LUSO FARMACO INST (IT) 1997-03-26 EP disclosed
US-5538987-A Imidazole ethers having a II antagonist activity ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1996-07-23 US disclosed
EP-0652869-A1 IMIDAZOLE ETHERS HAVING A II ANTAGONIST ACTIVITY. LUSO FARMACO INST (IT) 1995-05-17 EP disclosed
WO-1994002467-A1 IMIDAZOLE ETHERS HAVING A II ANTAGONIST ACTIVITY INSTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1994-02-03 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-20230064360-A1 HETEROCYCLES AND USES THEREOF KRAS, HRAS, TP53 SLC6A3 3535/4885SLC6A4 3920/4885SLC6A2 4126/4885

“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.