SCHEMBL3858520

SCHEMBL3858520

O[C@H](c1ccccc1)c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
TDO2 P48775 1/20 0.50
GAA P10253 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
BRD4 O60885 1/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL30910884 1.00 IDO1 (0.50) IDO1TDO2GAAMEN1KMT2A
SCHEMBL477718 1.00 IDO1 (0.50) IDO1TDO2GAAMEN1KMT2A
SCHEMBL30986701 1.00 IDO1 (0.50) IDO1TDO2GAAMEN1KMT2A
SCHEMBL30910940 0.87 CES2 (0.43) IDO1TDO2GAAMEN1KMT2A
SCHEMBL30986702 0.87 CES2 (0.43) IDO1TDO2GAAMEN1KMT2A
SCHEMBL6566037 0.87 CES2 (0.43) IDO1TDO2GAAMEN1KMT2A
SCHEMBL30057873 0.85 CES2 (0.52) IDO1TDO2GAAMEN1KMT2A
SCHEMBL1902230 0.85 CES2 (0.52) IDO1TDO2GAAMEN1KMT2A
SCHEMBL21831230 0.85 CES2 (0.47) IDO1TDO2GAAMEN1KMT2A
SCHEMBL30910879 0.85 CES2 (0.47) IDO1TDO2GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592487-B2 Chiral tertiary aminoalkylnaphthols THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-09-22 US disclosed
US-7592487-B2 Chiral tertiary aminoalkylnaphthols THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-09-22 US disclosed
US-7592487-B2 Chiral tertiary aminoalkylnaphthols THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-09-22 US disclosed
US-20080045757-A1 Chiral Tertiary Aminoalkylnaphthols THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2008-02-21 US disclosed
US-20080045757-A1 Chiral Tertiary Aminoalkylnaphthols THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2008-02-21 US disclosed
US-20080045757-A1 Chiral Tertiary Aminoalkylnaphthols THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2008-02-21 US disclosed
CN-1930116-A Chiral tertiary aminoalkylnaphthols UNIV HONG KONG POLYTECHNIC (HK) 2007-03-14 CN 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-20080045757-A1 Chiral Tertiary Aminoalkylnaphthols ALDH7A1, ADH5, ALDH1A1 IDO1 515/4885TDO2 268/4885GAA 459/4885

“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.