SCHEMBL13620669

SCHEMBL13620669

CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.50
GABRB2 P47870 1/20 0.50
ELANE P08246 1/20 0.47
CD69 Q07108 1/20 0.47
CYP2C19 P33261 2/20 0.42
ING2 Q9H160 1/20 0.41
TLR4 O00206 3/20 0.40
CD14 P08571 3/20 0.40
LY96 Q9Y6Y9 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DUSP5 Q16690 1/20 0.39
DUSP6 Q16828 1/20 0.39

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
SCHEMBL29517201 1.00 GABRA1 (0.50) GABRA1GABRB2ELANECD69CYP2C19
SCHEMBL9910710 1.00 GABRA1 (0.50) GABRA1GABRB2ELANECD69CYP2C19
SCHEMBL30547266 1.00 GABRA1 (0.50) GABRA1GABRB2ELANECD69CYP2C19
SCHEMBL29945572 1.00 GABRA1 (0.50) GABRA1GABRB2ELANECD69CYP2C19
SCHEMBL2471228 1.00 GABRA1 (0.50) GABRA1GABRB2ELANECD69CYP2C19
Carbon Dioxide SCHEMBL30318039 0.91 CD69 (0.46) GABRA1GABRB2ELANECD69CYP2C19
SCHEMBL17770826 0.91 SMN1; SMN2 (0.45) GABRA1GABRB2ELANECD69CYP2C19
SCHEMBL12201108 0.91 GABRA1 (0.43) GABRA1GABRB2ELANECD69CYP2C19
SCHEMBL22911514 0.88 ELANE (0.40) GABRA1GABRB2ELANECD69CYP2C19
SCHEMBL12228964 0.84 CD69 (0.38) GABRA1GABRB2ELANECD69CYP2C19

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-8871751-B2 Compositions and methods relating to nuclear hormone and steroid hormone receptors including inhibitors of estrogen receptor alpha-mediated gene expression and inhibition of breast cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-10-28 US disclosed
US-20090291972-A1 Compositions and Methods Relating to Nuclear Hormone and Steroid Hormone Receptors Including Inhibitors of Estrogen Receptor Alpha-mediated Gene Expression and Inhibition of Breast Cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-11-26 US disclosed
US-7465820-B2 Abiotic heparin antagonists CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2008-12-16 US disclosed
US-20070082951-A1 Abiotic heparin antagonists CONSIGLIO NAZIONALE DELLE RICECHE (IT) 2007-04-12 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-20090291972-A1 Compositions and Methods Relating to Nuclear Hormone and Steroid Hormone Receptors Including Inhibitors of Estrogen Receptor Alpha-mediated Gene Expression and Inhibition of Breast Cancer PGR, ESR1, CYP19A1 GABRA1 2401/4885GABRB2 2097/4885ELANE 1216/4885
US-20070082951-A1 Abiotic heparin antagonists CALR, NPSR1, CANX GABRA1 1430/4885GABRB2 1883/4885ELANE 566/4885

“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.