SCHEMBL4623477

SCHEMBL4623477

Oc1cccc(F)c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HSD11B1 P28845 1/20 0.43
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AHR P35869 1/20 0.39
HSP90AA1 P07900 2/20 0.38
KCNMA1 Q12791 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DPP4 P27487 1/20 0.36
KRAS P01116 2/20 0.36
CNR1 P21554 1/20 0.36
LMNA P02545 2/20 0.36
NR1I2 O75469 1/20 0.36
TTR P02766 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL29115688 0.87 TSHR (0.52) TSHRHSD17B10HSD11B1ALDH1A1CYP3A4
SCHEMBL4621900 0.83 ESR2 (0.39) HSD11B1HSP90AA1KCNMA1MEN1KMT2A
SCHEMBL21883228 0.82 HSP90AA1 (0.46) TSHRHSD17B10HSD11B1ALDH1A1CYP3A4
SCHEMBL24390321 0.81 TSHR (0.45) TSHRHSD17B10HSD11B1ALDH1A1CYP3A4
SCHEMBL4621473 0.80 ALDH1A1 (0.46) TSHRHSD17B10ALDH1A1TDP1MEN1
SCHEMBL21108846 0.80 EGLN2 (0.42) TSHRHSD17B10HSD11B1ALDH1A1CYP3A4
SCHEMBL2963945 0.79 TSHR (0.44) TSHRHSD17B10HSD11B1ALDH1A1CYP3A4
SCHEMBL24390358 0.78 HSP90AA1 (0.42) TSHRHSD17B10ALDH1A1CYP3A4TDP1
SCHEMBL5705070 0.76 CA1 (0.54) TSHRALDH1A1TDP1HSP90AA1KCNMA1
SCHEMBL4621308 0.76 CRHR1 (0.46) HSD11B1ALDH1A1AHRMEN1KMT2A

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-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2008-07-31 US disclosed
US-7365095-B2 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-04-29 US disclosed
EP-1874756-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF Wyeth (US) 2008-01-09 EP disclosed
EP-1871759-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
US-20060258714-A1 Chromane and chromene derivatives and uses thereof WYETH (US) 2006-11-16 US disclosed
WO-2006116165-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO 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 (3 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-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF HTR1A, HTR2C, CHRM1 TSHR 72/4885HSD17B10 1528/4885HSD11B1 542/4885
US-20060258714-A1 Chromane and chromene derivatives and uses thereof HTR1A, HTR2C, CHRM1 TSHR 72/4885HSD17B10 1528/4885HSD11B1 542/4885
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A TSHR 216/4885HSD17B10 1178/4885HSD11B1 638/4885

“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.