SCHEMBL19407136

SCHEMBL19407136

CNCCC(=O)c1ccc(OC)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.63
MAPT P10636 3/20 0.62
PDE4B Q07343 1/20 0.60
NPC1 O15118 3/20 0.58
RAB9A P51151 2/20 0.58
HDAC8 Q9BY41 3/20 0.58
HDAC1 Q13547 3/20 0.58
GSK3B P49841 1/20 0.58
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
ALDH1A1 P00352 3/20 0.55
PLK1 P53350 1/20 0.55
LMNA P02545 2/20 0.54

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
SCHEMBL16552644 0.85 MMP1 (0.76) MMP1MAPTPDE4BNPC1RAB9A
SCHEMBL3852945 0.81 HDAC3 (0.61) MMP1MAPTPDE4BNPC1RAB9A
SCHEMBL27821917 0.81 MMP1 (0.58) MMP1MAPTPDE4BNPC1RAB9A
SCHEMBL3171960 0.81 PDE4B (0.79) MMP1MAPTPDE4BNPC1RAB9A
SCHEMBL4082864 0.81 PDE4B (0.86) MMP1MAPTPDE4BNPC1RAB9A
SCHEMBL153386 0.81 ALDH1A1 (0.76) MMP1MAPTPDE4BNPC1HDAC8
SCHEMBL19407139 0.80 HTR1A (0.60) MAPTNPC1RAB9AHDAC8HDAC1
SCHEMBL9067332 0.80 PDE4B (0.67) MMP1MAPTPDE4BNPC1RAB9A
Hydrochloric Acid SCHEMBL3848973 0.80 HDAC3 (0.59) MMP1MAPTPDE4BNPC1RAB9A
Hydrochloric Acid SCHEMBL3654767 0.80 HDAC3 (0.59) MMP1MAPTPDE4BNPC1RAB9A

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-10370323-B2 Method for preparing chiral gamma-secondary amino alcohol SHANGHAI JIAOTONG UNIVERSITY (CN) 2019-08-06 US disclosed
US-20170275240-A1 METHOD FOR PREPARING CHIRAL gamma-SECONDARY AMINO ALCOHOL SHANGHAI JIAOTONG UNIVERSITY (CN) 2017-09-28 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-20170275240-A1 METHOD FOR PREPARING CHIRAL gamma-SECONDARY AMINO ALCOHOL AADAT, BCKDK, ADH5 MMP1 4866/4885MAPT 3203/4885PDE4B 3920/4885
US-10370323-B2 Method for preparing chiral gamma-secondary amino alcohol AADAT, BCKDK, ADH5 MMP1 4866/4885MAPT 3203/4885PDE4B 3920/4885

“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.