SCHEMBL9946048

SCHEMBL9946048

CB(C)c1ccccc1OCc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.57
ALDH1A1 P00352 4/20 0.53
PKM P14618 1/20 0.53
LMNA P02545 5/20 0.52
MAPT P10636 4/20 0.52
POLB P06746 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
STAT3 P40763 1/20 0.52
HTT P42858 1/20 0.52
HPGD P15428 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TRPV6 Q9H1D0 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
HTR1A P08908 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
MAOB P27338 1/20 0.45

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
SCHEMBL9946050 0.87 LIPE (0.73) LIPEMAPTSMN1; SMN2STAT3HTT
SCHEMBL30631479 0.86 LIPE (0.77) LIPEALDH1A1PKMLMNAMAPT
SCHEMBL9893416 0.86 LIPE (0.77) LIPEALDH1A1PKMLMNAMAPT
SCHEMBL9946079 0.86 LIPE (0.57) LIPEALDH1A1LMNAMAPTPOLB
SCHEMBL12301123 0.77 RXRA (0.63) ALDH1A1PKMLMNAMAPTPOLB
SCHEMBL16604319 0.76 ALDH1A1 (0.56) ALDH1A1PKMLMNAMAPTPOLB
SCHEMBL2558251 0.75 LIPE (0.56) LIPEALDH1A1PKMLMNAMAPT
SCHEMBL8283688 0.74 ALDH1A1 (0.67) ALDH1A1PKMLMNAMAPTPOLB
SCHEMBL6421205 0.73 APP (0.71) ALDH1A1PKMLMNAMAPTPOLB
SCHEMBL132403 0.73 LIPE (1.00) LIPELMNAMAPTHTR1ASLC6A2

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 LIPE 3056/4885ALDH1A1 4010/4885PKM 2782/4885

“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.