SCHEMBL20042294

SCHEMBL20042294

CCOC(=O)C(C)(C)CC(C)(C)Oc1cc(N)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CNR2 P34972 4/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 3/20 0.39
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B2 P37059 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
NR4A1 P22736 1/20 0.37
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAOA P21397 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL20042276 0.81 ALDH1A1 (0.45) MAPTALDH1A1POLBHTTLMNA
SCHEMBL20042356 0.73 ABCB1 (0.48) MAPTGAAKDM4EALDH1A1POLB
SCHEMBL2839402 0.70 ALDH1A1 (0.58) MAPTGAAKDM4EALDH1A1MAPK1
SCHEMBL5063369 0.69 ALDH1A1 (0.51) MAPTGAAKDM4EALDH1A1MAPK1
SCHEMBL358270 0.69 HSD17B2 (0.54) GAAKDM4EALDH1A1MAPK1POLB
SCHEMBL11388238 0.69 CA2 (0.48) GAACNR2ALDH1A1MAPK1LMNA
SCHEMBL606177 0.69 CA2 (0.48) GAACNR2ALDH1A1MAPK1LMNA
SCHEMBL755147 0.68 ALDH1A1 (0.63) MAPTGAAKDM4EALDH1A1MAPK1
SCHEMBL1671606 0.68 LMNA (0.53) MAPTGAAKDM4EALDH1A1MAPK1
SCHEMBL3533533 0.68 ALDH1A1 (0.65) MAPTGAAKDM4EALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180098990-A1 HISTONE DEACETYLASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-12 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 (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-20180098990-A1 HISTONE DEACETYLASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF HDAC1, HDAC5, HDAC9 MAPT 3211/4885GAA 308/4885KDM4E 64/4885

“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.