SCHEMBL5113039

SCHEMBL5113039

CCCCOC(=O)[CH]Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
TDP1 Q9NUW8 3/20 0.54
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
CYP3A4 P08684 2/20 0.54
MAPK1 P28482 2/20 0.54
ATM Q13315 1/20 0.50
HCAR2 Q8TDS4 3/20 0.49
HPGD P15428 1/20 0.47
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.45
CTSK P43235 1/20 0.44
APP P05067 1/20 0.43
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43

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
SCHEMBL28085774 0.84 ATM (0.56) TSHRTDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL290693 0.83 MAPT (0.51) TSHRALDH1A1L3MBTL1HCAR2HSD17B10
SCHEMBL3445677 0.79 HCAR2 (0.66) TSHRTDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL3695735 0.79 ATM (0.62) TSHRTDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL3445675 0.79 HCAR2 (0.66) TSHRTDP1ALDH1A1L3MBTL1CYP3A4
Diphenylmethane SCHEMBL28294258 0.78 TSHR (0.67) TSHRTDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL4065633 0.78 HCAR2 (0.62) TDP1ALDH1A1L3MBTL1MAPK1HCAR2
SCHEMBL7454113 0.77 CTSK (0.53) TSHRTDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL5675140 0.77 TSHR (0.54) TSHRTDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL11512655 0.76 TSHR (0.52) TSHRTDP1ALDH1A1L3MBTL1CYP3A4

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-8273740-B2 antiallergen; not direct way to change nature of immunological response to allergen; G-protein-coupled \"chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)\" antagonist for prostaglandin PGD2, that mediates PGD2-dependent migration of blood Th2 cells; ; asthma, rhinitis, COPD ACTELION PHARMACEUTICALS, LTD. (CH) 2012-09-25 US disclosed
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 US disclosed
CN-1290871-C styrene-based polymer resin and composition thereof PS JAPAN CORP (JP) 2006-12-20 CN disclosed
CN-1533402-A styrene-based polymer resin and composition thereof PS日本株式会社 2004-09-29 CN 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-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists HRH2, HRH1, HRH3 TSHR 655/4885TDP1 4867/4885ALDH1A1 470/4885

“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.