SCHEMBL9909063

SCHEMBL9909063

CCCCC(C)C(O)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABCB11 O95342 1/20 0.39
EGFR P00533 1/20 0.39
ESR1 P03372 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
FYN P06241 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL5746668 0.93 LMNA (0.43) HTR7LMNAALDH1A1MEN1KMT2A
SCHEMBL15051115 0.84 HTR7 (0.41) HTR7LMNAALDH1A1MEN1KMT2A
SCHEMBL15050377 0.84 HTR7 (0.41) HTR7LMNAALDH1A1MEN1KMT2A
SCHEMBL15050375 0.84 HTR7 (0.41) HTR7LMNAALDH1A1MEN1KMT2A
SCHEMBL12964104 0.84 HRH3 (0.42) LMNAALDH1A1MEN1KMT2AXBP1
SCHEMBL15051113 0.84 HTR7 (0.41) HTR7LMNAALDH1A1MEN1KMT2A
SCHEMBL15050374 0.84 HTR7 (0.41) HTR7LMNAALDH1A1MEN1KMT2A
SCHEMBL6679827 0.81 POLB (0.53) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL12224067 0.81 AOC3 (0.43) LMNAALDH1A1MEN1KMT2AAOC3
SCHEMBL18503058 0.81 AOC3 (0.52) HTR7ALDH1A1MEN1KMT2ACYP1A2

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-8198487-B2 Method for lithium exchange reactions LONZA AG (CH) 2012-06-12 US disclosed
US-20100113839-A1 METHOD FOR LITHIUM EXCHANGE REACTIONS LONZA AG (CH) 2010-05-06 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-20100113839-A1 METHOD FOR LITHIUM EXCHANGE REACTIONS SLC6A5, SLC6A9, SLC6A6 HTR7 3946/4885LMNA 1170/4885ALDH1A1 4332/4885

“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.