SCHEMBL5115761

SCHEMBL5115761

CCCOc1ccc(C(C)=O)cc1CCl

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.64
L3MBTL1 Q9Y468 3/20 0.57
ALDH1A1 P00352 6/20 0.52
HTT P42858 2/20 0.52
USP2 O75604 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
CREBBP Q92793 2/20 0.49
HIF1A Q16665 1/20 0.49
MAPK1 P28482 2/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
ADRB2 P07550 1/20 0.45

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
SCHEMBL5107050 0.93 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1ALDH1A1HTTUSP2
SCHEMBL5119766 0.88 CREBBP (0.62) SMN1; SMN2L3MBTL1ALDH1A1HTTMAPT
SCHEMBL5116144 0.87 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1ALDH1A1HTTPOLB
SCHEMBL9662476 0.82 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1ALDH1A1HTTUSP2
SCHEMBL9526406 0.81 SMN1; SMN2 (0.60) SMN1; SMN2L3MBTL1ALDH1A1HTTUSP2
SCHEMBL1557718 0.81 ALDH1A1 (0.67) L3MBTL1ALDH1A1HTTPOLBMAPT
SCHEMBL8123048 0.80 SMN1; SMN2 (0.60) SMN1; SMN2L3MBTL1ALDH1A1HTTUSP2
SCHEMBL11284780 0.80 AKT1 (0.50) L3MBTL1ALDH1A1POLBMAPTCREBBP
SCHEMBL14667298 0.79 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1ALDH1A1HTTUSP2
SCHEMBL7164453 0.79 HDAC1 (0.55) SMN1; SMN2L3MBTL1ALDH1A1HTTUSP2

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 2 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

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 SMN1; SMN2 3386/4885L3MBTL1 4614/4885ALDH1A1 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.