SCHEMBL6835989

SCHEMBL6835989

COc1c(O)ccc(C=O)c1C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.54
CA2 P00918 1/20 0.54
ERN1 O75460 7/20 0.46
TYR P14679 2/20 0.46
TRIM24 O15164 2/20 0.46
TRIM33 Q9UPN9 2/20 0.46
AKR1B1 P15121 4/20 0.40
ALDH1A1 P00352 3/20 0.39
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
TLR6 Q9Y2C9 1/20 0.39
HPGD P15428 1/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LCK P06239 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
LIMK1 P53667 1/20 0.36

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
SCHEMBL28143386 0.87 CA1 (0.47) CA1CA2ERN1TYRTRIM24
SCHEMBL15535316 0.87 CA1 (0.51) CA1CA2ERN1TYRTRIM24
SCHEMBL27773850 0.81 ALDH1A1 (0.44) CA1CA2ERN1ALDH1A1TLR2
SCHEMBL4072726 0.80 TYR (0.53) CA1CA2ERN1TYRTRIM24
SCHEMBL29459741 0.80 CA1 (0.69) CA1CA2ERN1TYRTRIM24
SCHEMBL1003414 0.80 CA1 (0.69) CA1CA2ERN1TYRTRIM24
SCHEMBL1005010 0.78 CA1 (0.61) CA1CA2ERN1TYRTRIM24
SCHEMBL29459651 0.78 CA1 (0.61) CA1CA2ERN1TYRTRIM24
SCHEMBL7939012 0.77 CA1 (0.59) CA1CA2ERN1TYRTRIM24
SCHEMBL1361643 0.77 CA1 (0.59) CA1CA2ERN1TYRTRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6753441-B1 CONDENSING, IN WATER AND BASE, HYDROXYLATED AROMATIC COMPOUND WITH GLYOXYLIC ACID USING POLYCARBOXYLIC ACID CATALYST RHODIA CHIMIE (FR) 2004-06-22 US claimed
US-20170283352-A1 METHOD FOR PRODUCING AN AROMA SUBSTANCE BASF SE (DE) 2017-10-05 US disclosed
CN-106660916-A METHOD FOR PRODUCING AN AROMA SUBSTANCE 巴斯夫欧洲公司 2017-05-10 CN 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-20170283352-A1 METHOD FOR PRODUCING AN AROMA SUBSTANCE ADH1A, H1-0, HRH3 CA1 572/4885CA2 2175/4885ERN1 1190/4885

“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.