SCHEMBL5452463

SCHEMBL5452463

CC1CC(c2ccc(O)c(C(=O)O)c2)CC(C)(C)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 4/20 0.56
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS2 P35354 2/20 0.41
MEN1 O00255 2/20 0.41
KDR P35968 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TNF P01375 1/20 0.41
HSPD1 P10809 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
BRCA1 P38398 1/20 0.41
RECQL P46063 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
Benzophenone SCHEMBL21933107 0.81 LMNA (0.41) ACMSDALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL7119393 0.81 ESR1 (0.43) ACMSDALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL7067810 0.81 ALDH1A1 (0.39) ACMSDALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL19031705 0.80 LMNA (0.37) ACMSDALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4126596 0.80 ALDH1A1 (0.37) ACMSDALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4317921 0.80 ALDH1A1 (0.37) ACMSDALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL28361734 0.80 ESR1 (0.40) ACMSDALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL23071549 0.80 IDH1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
Bicarbonate SCHEMBL28346273 0.80 ESR2 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL9769937 0.79 ACMSD (0.70) ACMSDALDH1A1CYP3A4CYP2C9CYP2C19

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-20070122439-A1 Test medium, system and method for the evaluation of surfaces GM GLOBAL TECHNOLOGY OPERATIONS, INC. 2007-05-31 US claimed

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-20070122439-A1 Test medium, system and method for the evaluation of surfaces PTGES3, PTGER3, PTGES ACMSD 92/4885ALDH1A1 2013/4885CYP3A4 2409/4885

“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.