SCHEMBL4957705

SCHEMBL4957705

Oc1ccc(Cl)c(-c2ccccc2C(F)(F)F)c1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
MRGPRX4 Q96LA9 3/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
STK10 O94804 1/20 0.38
SLK Q9H2G2 1/20 0.38
FFAR1 O14842 2/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
PTGER1 P34995 1/20 0.36
PTPN2 P17706 2/20 0.35
PTPN1 P18031 2/20 0.35
PTPN6 P29350 2/20 0.35
PDK2 Q15119 1/20 0.35

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
SCHEMBL4962184 0.84 LMNA (0.40) THRBRXRARXRBALOX5APFEN1
SCHEMBL4958641 0.82 RXRA (0.38) THRATHRBRXRARXRBRXRG
SCHEMBL4960443 0.81 LMNA (0.41) THRBMRGPRX4ALOX5APFEN1LMNA
SCHEMBL4957592 0.77 ALDH1A1 (0.36) RXRARXRBRXRGMRGPRX4ALOX5AP
SCHEMBL4961226 0.75 KDM1A (0.42) RXRARXRBALOX5APFEN1LMNA
SCHEMBL4962552 0.74 HTR1A (0.45) THRATHRBRXRARXRBMRGPRX4
SCHEMBL10848977 0.73 LMNA (0.46) THRATHRBRXRARXRBMRGPRX4
SCHEMBL3990179 0.72 PDK2 (0.56) THRATHRBMRGPRX4FFAR1PPARG
SCHEMBL4961194 0.70 HSD11B1 (0.45) THRATHRBSTK10SLKPDK2
SCHEMBL4958842 0.70 MAOB (0.42) MRGPRX4ALOX5APFEN1LMNAHPGD

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
EP-1871759-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
WO-2006116158-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 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-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A THRA 352/4885THRB 302/4885RXRA 315/4885

“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.