SCHEMBL13560146

SCHEMBL13560146

CCC(C)(CC)Cc1ccc(OC(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ PTGES2 Q9H7Z7 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ HTT P42858 4/20 0.36
▸ MAPT P10636 2/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 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
SCHEMBL9921250 0.86 MAPK1 (0.39) DAOMAPK1LMNAPOLBACACB
SCHEMBL9917331 0.83 ESR1 (0.47) DAOMAPK1LMNAPOLBPTGES2
SCHEMBL8342798 0.77 PPARG (0.50) DAOMAPK1LMNAPOLBPTGES2
SCHEMBL257110 0.77 PPARG (0.50) DAOMAPK1LMNAPOLBACACB
SCHEMBL20132787 0.76 TSHR (0.49) DAOLMNAALDH1A1L3MBTL1
SCHEMBL14378253 0.74 PPARA (0.47) DAOMAPK1LMNAMAPTKMT2A
SCHEMBL19084259 0.74 NPC1 (0.44) MAPK1LMNAMAPTKMT2AALDH1A1
SCHEMBL18746248 0.74 NPC1 (0.53) MAPK1POLBHTTMAPTALOX15
SCHEMBL6663312 0.73 PPARG (0.39) DAOMAPK1LMNAPOLBPTGES2
SCHEMBL11090033 0.73 PPARA (0.52) DAOMAPK1LMNAKMT2AMEN1

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-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 — — 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-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 DAO 1003/4885MAPK1 4422/4885LMNA 1234/4885

“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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