SCHEMBL19785093

SCHEMBL19785093

CCOCC(=O)Nc1ccc(OC)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
MAPT P10636 4/20 0.72
MAPK1 P28482 1/20 0.72
KDM4E B2RXH2 1/20 0.72
HPGD P15428 4/20 0.68
RAB9A P51151 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
KLK7 P49862 1/20 0.60
HTT P42858 1/20 0.59
TSHR P16473 1/20 0.59
LMNA P02545 1/20 0.59
NPC1 O15118 1/20 0.58
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56

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
SCHEMBL19721129 0.87 POLB (0.75) ALDH1A1SMN1; SMN2MAPTMAPK1KDM4E
SCHEMBL2098410 0.84 MTNR1A (0.70) ALDH1A1SMN1; SMN2MAPTMAPK1KDM4E
SCHEMBL2954416 0.82 L3MBTL1 (0.71) ALDH1A1SMN1; SMN2MAPTMAPK1KDM4E
SCHEMBL9313874 0.82 L3MBTL1 (0.76) ALDH1A1SMN1; SMN2MAPTMAPK1KDM4E
SCHEMBL6002399 0.81 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPTKDM4EHPGD
SCHEMBL19721130 0.81 HPGD (1.00) ALDH1A1SMN1; SMN2MAPTKDM4EHPGD
SCHEMBL27670724 0.81 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTMAPK1KDM4E
SCHEMBL11727915 0.81 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MAPTHPGDRAB9A
SCHEMBL19721197 0.81 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2MAPTHPGDRAB9A
SCHEMBL2098408 0.81 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2MAPTMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10350192-B2 Lactate dehydrogenase inhibitor and antiepileptic drug containing the same NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2019-07-16 US disclosed
US-20180015068-A1 LACTATE DEHYDROGENASE INHIBITOR AND ANTIEPILEPTIC DRUG CONTAINING THE SAME NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2018-01-18 US 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-20180015068-A1 LACTATE DEHYDROGENASE INHIBITOR AND ANTIEPILEPTIC DRUG CONTAINING THE SAME LDHA, LDHB, ALDH5A1 ALDH1A1 38/4885SMN1; SMN2 2719/4885MAPT 569/4885
US-10350192-B2 Lactate dehydrogenase inhibitor and antiepileptic drug containing the same LDHA, LDHB, ALDH5A1 ALDH1A1 38/4885SMN1; SMN2 2719/4885MAPT 569/4885

“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.