SCHEMBL9921250

SCHEMBL9921250

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.39
▸ LMNA P02545 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ DAO P14920 1/20 0.37
▸ ACACB O00763 2/20 0.37
▸ HTT P42858 4/20 0.36
▸ MAPT P10636 2/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KMT2A Q03164 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
▸ HDAC11 Q96DB2 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
SCHEMBL13560146 0.86 DAO (0.40) MAPK1LMNAPOLBDAOACACB
SCHEMBL9917331 0.83 ESR1 (0.47) MAPK1LMNAPOLBDAOACACB
SCHEMBL19771931 0.77 ESR1 (0.36) MAPK1DAOL3MBTL1ATM
SCHEMBL12841723 0.77 IDO1 (0.48) MAPK1MAPTALDH1A1ALOX12ALOX15
SCHEMBL257110 0.77 PPARG (0.50) MAPK1LMNAPOLBDAOACACB
SCHEMBL20132758 0.76 TSHR (0.49) LMNAALDH1A1L3MBTL1
SCHEMBL21527347 0.76 MAPK1 (0.47) MAPK1LMNAHTTMAPTMEN1
SCHEMBL13824185 0.76 NQO1 (0.56) MAPK1LMNAPOLBMAPTMEN1
SCHEMBL12093766 0.76 PPARA (0.37) LMNAACACBMAPTALDH1A1
SCHEMBL18746248 0.74 NPC1 (0.53) MAPK1POLBHTTMAPTALOX15

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-20120148534-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 2012-06-14 — — 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-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 MAPK1 4363/4885LMNA 1328/4885POLB 582/4885

“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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