SCHEMBL3463971

SCHEMBL3463971

CCOc1c[c]ccc1OCCN(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.42
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTR1B P28222 1/20 0.41
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
ESR1 P03372 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2479633 0.85 HTR7 (0.53) HTR7KDM4EALDH1A1SMN1; SMN2HTR1B
SCHEMBL4577229 0.85 HTR7 (0.53) HTR7KDM4EALDH1A1SMN1; SMN2HTR1B
SCHEMBL127280 0.84 ALDH1A1 (0.39) KDM4EALDH1A1SMN1; SMN2MAPTNPSR1
SCHEMBL6200525 0.83 L3MBTL1 (0.41) KDM4EALDH1A1MAPTNPSR1L3MBTL1
SCHEMBL188778 0.81 KDM4E (0.53) HTR7KDM4EALDH1A1SMN1; SMN2HTR1B
SCHEMBL21268380 0.81 L3MBTL1 (0.42) ALDH1A1SMN1; SMN2ESR1MAPTNPSR1
SCHEMBL2457659 0.80 L3MBTL1 (0.43) KDM4EALDH1A1MAPTNPSR1L3MBTL1
SCHEMBL2459479 0.80 L3MBTL1 (0.42) KDM4EALDH1A1MAPTNPSR1L3MBTL1
SCHEMBL2459518 0.79 HTR7 (0.65) HTR7KDM4EALDH1A1SMN1; SMN2HTR1B
SCHEMBL19925872 0.79 ESR1 (0.44) HTR7KDM4EALDH1A1SMN1; SMN2HTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 US claimed
US-20080132507-A1 Hydrazide Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-06-05 US claimed
EP-1810965-A1 HYDRAZIDE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2007-07-25 EP claimed
US-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 US disclosed
US-20080132507-A1 Hydrazide Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-06-05 US disclosed
EP-1810965-A1 HYDRAZIDE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2007-07-25 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 (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-20100240654-A1 HYDRAZIDE DERIVATIVES H1-10, H1-4, H1-3 HTR7 3158/4885KDM4E 1779/4885ALDH1A1 192/4885
US-20080132507-A1 Hydrazide Derivatives H1-10, H1-4, H1-3 HTR7 3158/4885KDM4E 1779/4885ALDH1A1 192/4885

“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.