SCHEMBL4828987

SCHEMBL4828987

CCOC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 1.00
HPGD P15428 2/20 0.70
SMN1; SMN2 Q16637 3/20 0.65
HTT P42858 3/20 0.58
RAB9A P51151 3/20 0.58
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KDM4E B2RXH2 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TSHR P16473 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 1/20 0.53
NPC1 O15118 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NR4A3 Q92570 1/20 0.51
TP53 P04637 1/20 0.51
ALOX12 P18054 1/20 0.51

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
SCHEMBL15750820 0.91 ALDH1A1 (0.84) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL14406221 0.91 ALDH1A1 (0.84) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL14406230 0.89 ALDH1A1 (0.80) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL14333125 0.87 ALDH1A1 (0.77) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL29612754 0.87 ALDH1A1 (0.76) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL1065124 0.85 ALDH1A1 (0.75) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL798337 0.83 ALDH1A1 (0.73) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL11890412 0.83 ALDH1A1 (0.71) ALDH1A1HPGDSMN1; SMN2RAB9ACYP3A4
SCHEMBL13887595 0.82 NR4A3 (0.72) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL3264275 0.82 ALDH1A1 (0.71) ALDH1A1HPGDSMN1; SMN2HTTRAB9A

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-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 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 (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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885HPGD 1252/4885SMN1; SMN2 75/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885HPGD 1252/4885SMN1; SMN2 75/4885

“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.