SCHEMBL4621499

SCHEMBL4621499

Cc1ccccc1-c1c(O)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HSP90AA1 P07900 1/20 0.44
TRPA1 O75762 3/20 0.43
ATM Q13315 3/20 0.43
TSHR P16473 3/20 0.43
ELANE P08246 2/20 0.41
CTSG P08311 1/20 0.41
MAOA P21397 2/20 0.41
PLA2G7 Q13093 1/20 0.41
MAPT P10636 4/20 0.40
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALOX15 P16050 3/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL29712101 0.86 TRPA1 (0.52) ALDH1A1TRPA1ATMTSHRELANE
SCHEMBL5281695 0.86 PLA2G7 (0.47) ALDH1A1TSHRELANEPLA2G7HPGD
SCHEMBL9743723 0.86 TRPA1 (0.52) ALDH1A1TRPA1ATMTSHRELANE
SCHEMBL13201408 0.85 ALDH1A1 (0.46) ALDH1A1HSP90AA1TRPA1ATMTSHR
SCHEMBL7647835 0.84 TRPA1 (0.50) ALDH1A1TRPA1ATMTSHRELANE
SCHEMBL8814321 0.84 ALDH1A1 (0.54) ALDH1A1HSP90AA1TRPA1ATMTSHR
SCHEMBL4621457 0.84 ALDH1A1 (0.54) ALDH1A1HSP90AA1TRPA1TSHRMAOA
SCHEMBL31565122 0.82 TRPA1 (0.48) ALDH1A1TRPA1ATMTSHRELANE
SCHEMBL20983402 0.82 HSP90AA1 (0.51) ALDH1A1HSP90AA1TRPA1ATMTSHR
SCHEMBL15475619 0.78 HSP90AA1 (0.42) ALDH1A1HSP90AA1TRPA1TSHRELANE

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 ALDH1A1 2512/4885HSP90AA1 4044/4885TRPA1 640/4885
US-20060258714-A1 Chromane and chromene derivatives and uses thereof HTR1A, HTR2C, CHRM1 ALDH1A1 2512/4885HSP90AA1 4044/4885TRPA1 640/4885
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A ALDH1A1 814/4885HSP90AA1 1598/4885TRPA1 476/4885

“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.