SCHEMBL4907907

SCHEMBL4907907

Cc1cc(C(C)C)c(O)c(C)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
GABRA1 P14867 6/20 0.48
GABRB1 P18505 5/20 0.48
GABRB2 P47870 3/20 0.48
LMNA P02545 3/20 0.42
SLC6A2 P23975 2/20 0.41
HTR2B P41595 2/20 0.41
FAAH O00519 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GABRG2 P18507 1/20 0.41
PTGS1 P23219 1/20 0.41
HTR2C P28335 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41

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
SCHEMBL993799 0.84 GABRA1 (0.52) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL22645746 0.83 CA1 (0.54) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL11061545 0.82 CA1 (0.59) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL1973265 0.82 CA1 (0.48) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL17081926 0.81 CA1 (0.46) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL17281733 0.80 CA1 (0.56) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL214386 0.79 GABRA1 (0.46) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL70105 0.79 CA1 (0.45) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL29484753 0.77 CA1 (0.43) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL24925096 0.77 CA1 (0.48) CA1CA2GABRA1GABRB1GABRB2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312339-A1 FLUORINE-SUBSTITUTED ALKYL PHENOL COMPOUNDS AND THEIR USES BAKER MAX T 2008-12-18 US disclosed
US-7312250-B2 Fluorine-substituted alkyl phenol compounds and their uses UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2007-12-25 US disclosed
WO-2003077894-A1 FLUORINE-SUBSTITUTED ALKYL PHENOL COMPOUNDS AND THEIR USES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2003-09-25 WO disclosed
US-20030176513-A1 Fluorine-substituted alkyl phenol compounds and their uses IOWA RESEARCH FOUNDATION, UNIVERSITY OF 2003-09-18 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 (2 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-20030176513-A1 Fluorine-substituted alkyl phenol compounds and their uses AFF4, AFF1, AFF2 CA1 3712/4885CA2 2598/4885GABRA1 3412/4885
US-20080312339-A1 FLUORINE-SUBSTITUTED ALKYL PHENOL COMPOUNDS AND THEIR USES AFF4, AFF1, AFF2 CA1 3712/4885CA2 2598/4885GABRA1 3412/4885

“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.