SCHEMBL3283300

SCHEMBL3283300

Cc1cc(O)cc(C(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
GABRA1 P14867 6/20 0.48
GABRB1 P18505 5/20 0.48
GABRB2 P47870 3/20 0.48
HTR2B P41595 3/20 0.42
CYP3A4 P08684 3/20 0.42
CHRM1 P11229 2/20 0.42
ADRA1A P35348 2/20 0.42
ALOX15 P16050 2/20 0.42
MAOA P21397 1/20 0.42
TBXA2R P21731 1/20 0.42
LMNA P02545 3/20 0.42
SLC6A2 P23975 2/20 0.41
CYP1A2 P05177 2/20 0.41
PTGS1 P23219 2/20 0.41
FAAH O00519 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GABRG2 P18507 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
SCHEMBL15894567 0.86 CYP3A4 (0.42) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL1760529 0.85 CA1 (0.70) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL11652210 0.81 CA1 (0.73) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL4402447 0.81 CA1 (0.52) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL1977309 0.81 HTR2B (0.42) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL17281733 0.80 CA1 (0.56) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL30467045 0.79 GABRA1 (0.65) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL6943696 0.79 GABRA1 (0.65) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL13773190 0.78 GABRA1 (0.64) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL13997556 0.77 GABRA1 (0.75) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714175-B2 Production method of aromatic hydroxide SUMITOMO CHEMICAL COMPANY, LIMITED (JO) 2010-05-11 US disclosed
US-20090318736-A1 Production method of aromatic hydroxide SUMITOMO CHEMICAL COMPANY, LIMITED 2009-12-24 US disclosed
US-7576094-B2 Spiro derivatives as lipoxygenase inhibitors ELI LILLY AND COMPANY (US) 2009-08-18 US disclosed
US-7342127-B2 Substituted anilide ligands for the thyroid receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-11 US disclosed
US-7342127-B2 Substituted anilide ligands for the thyroid receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-11 US disclosed
US-7342127-B2 Substituted anilide ligands for the thyroid receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-11 US disclosed
EP-1836183-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS Galileo Pharmaceuticals, Inc. (US) 2007-09-26 EP disclosed
EP-1601641-A4 SUBSTITUTED ANILIDE LIGANDS FOR THE THYROID RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2007-03-21 EP disclosed
EP-1587783-A4 CYCLOALKYL CONTAINING ANILIDE LIGANDS FOR THE THYROID RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2006-11-08 EP disclosed
WO-2006065686-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS GALILEO PHARMACEUTICALS, INC. (US) 2006-06-22 WO disclosed
US-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors GALILEO PHARMACEUTICALS, INC. 2006-06-15 US disclosed
EP-1601641-A2 SUBSTITUTED ANILIDE LIGANDS FOR THE THYROID RECEPTOR Bristol-Myers Squibb Company (US) 2005-12-07 EP disclosed
EP-1587783-A2 CYCLOALKYL CONTAINING ANILIDE LIGANDS FOR THE THYROID RECEPTOR Bristol-Myers Squibb Company (US) 2005-10-26 EP disclosed
US-20040180940-A1 Substituted anilide ligands for the thyroid receptor KARO BIO AB (SE) 2004-09-16 US disclosed
US-20040176425-A1 Cycloalkyl containing anilide ligands for the thyroid receptor BRISTOL-MYERS SQUIBB COMPANY 2004-09-09 US disclosed
WO-2004066929-A2 CYCLOALKYL CONTAINING ANILIDE LIGANDS FOR THE THYROID RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-12 WO disclosed
WO-2004067482-A2 SUBSTITUTED ANILIDE LIGANDS FOR THE THYROID RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-12 WO disclosed
EP-0031954-A2 Sulphonamides, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1981-07-15 EP disclosed
US-4228297-A Process for the production of hydroxyalkylphenyl derivatives CIBA-GEIGY CORPORATION (US) 1980-10-14 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 (4 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-20090318736-A1 Production method of aromatic hydroxide PAH, AHR, HRH3 CA1 2278/4885CA2 533/4885GABRA1 2734/4885
US-20040180940-A1 Substituted anilide ligands for the thyroid receptor TSHR, TRHR, THRA CA1 4612/4885CA2 4691/4885GABRA1 643/4885
US-20040176425-A1 Cycloalkyl containing anilide ligands for the thyroid receptor TSHR, THRB, TRHR CA1 4590/4885CA2 4510/4885GABRA1 495/4885
US-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors ALOX15B, ALOX5, ALOX15 CA1 4829/4885CA2 4524/4885GABRA1 3804/4885

“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.