SCHEMBL8926663

SCHEMBL8926663

Cc1ccc(C(C)C)c(O)c1S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.47
FABP4 P15090 1/20 0.47
FABP5 Q01469 1/20 0.47
LMNA P02545 3/20 0.42
PTGS1 P23219 3/20 0.42
HPGD P15428 2/20 0.42
SLC6A2 P23975 2/20 0.42
HTR2B P41595 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
FAAH O00519 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GABRA1 P14867 1/20 0.42
TSHR P16473 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
HTR2C P28335 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42

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
SCHEMBL30858733 0.85 FABP3 (0.47) FABP3FABP4FABP5LMNAPTGS1
SCHEMBL26028062 0.83 FABP3 (0.48) FABP3FABP4FABP5LMNAPTGS1
Potassium Ion SCHEMBL18247779 0.82 LMNA (0.41) FABP3FABP4FABP5LMNAPTGS1
SCHEMBL8370447 0.80 TYR (0.44) FABP3FABP4FABP5LMNAHPGD
SCHEMBL1808650 0.80 ALDH1A1 (0.40) FABP3FABP4FABP5LMNAHPGD
SCHEMBL11760874 0.79 FABP3 (0.32) FABP3FABP4FABP5
SCHEMBL11627738 0.78 ACHE (0.44) LMNAHPGDTSHRALDH1A1GAA
SCHEMBL8367579 0.78 TYR (0.42) FABP3FABP4FABP5LMNAHPGD
SCHEMBL12018139 0.78 FABP3 (0.47) FABP3FABP4FABP5LMNAHPGD
SCHEMBL5202112 0.76 TRPA1 (0.38) LMNAHPGDCYP3A4HIF1AALDH1A1

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-5595628-A SULFONATE SALTS IMPROVE SOLUBILITY OF ANTHRAQUINONE, REUSE OF PULPING LIQUORS GRANT S.A. (CH) 1997-01-21 US claimed
US-20180265804-A1 ESSENTIAL OIL DERIVATIVES, THEIR PREPARATION AND USES VOLARE & CONNECTING, LLC (US) 2018-09-20 US disclosed
EP-3294068-A1 ESSENTIAL OIL DERIVATIVES, THEIR PREPARATION AND USES Volare & Connecting, LLC (US) 2018-03-21 EP disclosed
WO-2016185249-A1 ESSENTIAL OIL DERIVATIVES, THEIR PREPARATION AND USES VOLARE & CONNECTING, LLC (US) 2016-11-24 WO 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-20180265804-A1 ESSENTIAL OIL DERIVATIVES, THEIR PREPARATION AND USES PIGS, PCNA, CUTA FABP3 1713/4885FABP4 72/4885FABP5 915/4885

“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.