SCHEMBL6673906

SCHEMBL6673906

Nc1ccc2c(c1)CC(CC(=O)O)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.41
ITGA2B P08514 7/20 0.41
DGAT1 O75907 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
FFAR1 O14842 1/20 0.36
BRD4 O60885 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MMP8 P22894 6/20 0.35
MMP3 P08254 3/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL7796017 0.87 DGAT1 (0.55) ITGB3ITGA2BDGAT1FFAR1BRD4
SCHEMBL7316308 0.87 ITGB3 (0.55) ITGB3ITGA2BDGAT1PSEN1PSEN2
SCHEMBL16627778 0.86 CA1 (0.38) ITGB3ITGA2BPSEN1PSEN2APH1B
SCHEMBL22344890 0.79 SLC6A4 (0.46) ITGB3ITGA2BDGAT1PSEN1PSEN2
SCHEMBL7304564 0.79 FFAR4 (0.46) ITGB3ITGA2BDGAT1FFAR1
SCHEMBL9245560 0.79 PNMT (0.44) ITGB3ITGA2BDGAT1
SCHEMBL7293280 0.79 TBXA2R (0.42) ITGB3ITGA2BDGAT1PSEN1PSEN2
SCHEMBL6554194 0.79 ITGB3 (0.57) ITGB3ITGA2BALDH1A1HPGD
SCHEMBL6554201 0.79 ITGB3 (0.57) ITGB3ITGA2BALDH1A1HPGD
SCHEMBL29633587 0.77 DGAT1 (0.47) DGAT1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1259495-B1 INDANE DERIVATIVES AND THEIR USE AS CELL ADHESION INHIBITORS AVENTIS PHARMA LTD (GB) 2004-09-22 EP disclosed
US-6762199-B2 ABILITY TO MODULATE THE INTERACTION OF THE LIGAND VCAM-1 WITH ITS INTEGRIN RECEPTOR ALPHA 4 BETA 1; TREATMENT OF INFLAMMATION, ATHEROSCLEROSIS, AUTOIMMUNE DISEASE AVENTIS PHARMA LIMITED (GB) 2004-07-13 US disclosed
US-20030199564-A1 Indane derivatives AVENTIS PHARMA LIMITED (GB) 2003-10-23 US disclosed
EP-1259495-A2 INDANE DERIVATIVES AND THEIR USE AS CELL ADHESION INHIBITORS Aventis Pharma Limited (GB) 2002-11-27 EP disclosed
WO-2001064659-A2 INDANE DERIVATIVES AND THEIR USE AS CELL ADHESION INHIBITORS AVENTIS PHARMA LIMITED (GB) 2001-09-07 WO 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-20030199564-A1 Indane derivatives ITGA1, ITGB1, VCAM1 ITGB3 4/4885ITGA2B 12/4885DGAT1 2662/4885

“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.