SCHEMBL12116607

SCHEMBL12116607

CC/C=C\C=C(\O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ CES2 O00748 3/20 0.36
▸ CES1 P23141 3/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ MAPT P10636 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PCSK9 Q8NBP7 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL18745499 0.82 KDM1A (0.38) ATMCES2CES1HTTPCSK9
SCHEMBL15326869 0.78 MAOB (0.54) NFE2L2CA12CA1CA2CA9
SCHEMBL8162561 0.77 AKR1C1 (0.47) CES2CES1MAPTMEN1HTT
SCHEMBL8162556 0.77 AKR1C1 (0.47) CES2CES1MAPTMEN1HTT
SCHEMBL94817 0.73 ATM (0.43) ATMNFE2L2CES2CES1CA12
SCHEMBL3680121 0.73 ATM (0.43) ATMNFE2L2CES2CES1CA12
SCHEMBL28879271 0.71 AKT1 (0.54) MAPTMEN1NPC1HTTRAB9A
Benzoic Acid SCHEMBL28839137 0.68 TSHR (0.48) CES2CES1MAPTKMT2AALDH1A1
SCHEMBL21528207 0.68 LMNA (0.47) CES2CES1MAPTMEN1NPC1
SCHEMBL21528208 0.68 LMNA (0.47) CES2CES1MAPTMEN1NPC1

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-8053435-B2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-11-08 — — US disclosed
US-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-18 — — 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 (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-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC3, HDAC11 ATM 2007/4885NFE2L2 639/4885CES2 2301/4885

“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.

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