SCHEMBL2186175

SCHEMBL2186175

CCc1cc(C(C)(C)C)cc(C(C)(C)C)c1OC(c1c(CC)cc(C(C)(C)C)cc1C(C)(C)C)C(CO)(CO)CO

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.33
PPARG P37231 9/20 0.33
RARG P13631 4/20 0.33
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
XBP1 P17861 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL28222090 0.86 RXRA (0.31) RXRAPPARG
SCHEMBL379576 0.85 RXRA (0.33) RXRAPPARGRARGCYP1A2CYP3A4
SCHEMBL76728 0.81 ALDH1A1 (0.31) RXRAPPARGRARGCYP1A2CYP3A4
SCHEMBL1074119 0.81 RXRA (0.31) RXRAPPARGRARGCYP1A2CYP3A4
Pyrophosphoric Acid SCHEMBL3635254 0.79 RXRA (0.31) RXRAPPARGRARGRARARARB
SCHEMBL25435252 0.78
SCHEMBL499915 0.77 HSPA5 (0.40) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29139883 0.74 HSPA5 (0.37) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL674846 0.74 CYP3A4 (0.35) CYP3A4
SCHEMBL11025710 0.74 HSPA5 (0.37) CYP1A2CYP3A4CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110213077-A1 Hydroquinone-containing polyesters having improved whiteness SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2011-09-01 US disclosed
US-20110204407-A1 Power LED device with a reflector made of aromatic polyester and/or wholly aromatic polyester SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2011-08-25 US disclosed
EP-2342766-A1 POWER LED DEVICE WITH A REFLECTOR MADE OF AROMATIC POLYESTER AND/OR WHOLLY AROMATIC POLYESTER Solvay Advanced Polymers, L.L.C. (US) 2011-07-13 EP disclosed
EP-2342255-A1 HYDROQUINONE-CONTAINING POLYESTERS HAVING IMPROVED WHITENESS Solvay Advanced Polymers, L.L.C. (US) 2011-07-13 EP disclosed
WO-2010049531-A1 POWER LED DEVICE WITH A REFLECTOR MADE OF AROMATIC POLYESTER AND/OR WHOLLY AROMATIC POLYESTER SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2010-05-06 WO disclosed
WO-2010049526-A1 HYDROQUINONE-CONTAINING POLYESTERS HAVING IMPROVED WHITENESS SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2010-05-06 WO disclosed
US-7399577-B2 Halogenated oxime derivatives and the use thereof CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-07-15 US disclosed
US-20060246377-A1 Halogenated oxime derivatives and the use thereof as latent acids BASF SE (DE) 2006-11-02 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 (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-20060246377-A1 Halogenated oxime derivatives and the use thereof as latent acids AHR, ARSA, SULT1A1 RXRA 15/4885PPARG 758/4885RARG 293/4885

“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.