SCHEMBL4471056

SCHEMBL4471056

[Li]c1ccc(OC)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.57
EP300 Q09472 1/20 0.55
KAT8 Q9H7Z6 1/20 0.55
IMPDH2 P12268 1/20 0.52
IMPDH1 P20839 1/20 0.52
NQO1 P15559 1/20 0.50
MAPT P10636 3/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
PLK1 P53350 1/20 0.46
HPGDS O60760 1/20 0.44
CDC25B P30305 2/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL29380721 0.85 IDO1 (0.73) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL419307 0.85 IDO1 (0.73) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL31666411 0.78 IDO1 (0.64) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL12019777 0.78 IDO1 (0.64) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL12019841 0.78 IDO1 (0.64) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL7753164 0.78 IDO1 (0.64) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL29658213 0.77 ALDH1A1 (0.39) IDO1ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL135501 0.77 ALDH1A1 (0.39) IDO1ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL357145 0.75 CA1 (0.61) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL31116611 0.75 CA1 (0.61) IDO1EP300KAT8IMPDH2IMPDH1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601734-B2 Such as methyl 5-(3,4-dihydro[1]benzofuro[3,2-c]pyridine-2(1H)-yl)-2,2-bis(4-fluorophenyl)pentanoate, having potent inhibitory effect on binding of alpha 2C-adrenoceptor; depression, anxiety, schizophrenia TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-10-13 US disclosed
US-20070244145-A1 Cyclic Amine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-10-18 US disclosed
EP-1757605-A1 CYCLIC AMINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-02-28 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-20070244145-A1 Cyclic Amine Compound ADRA2C, ADRB2, NR2C2 IDO1 915/4885EP300 1578/4885KAT8 3441/4885

“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.