SCHEMBL6199871

SCHEMBL6199871

C=C(C(=O)N1CCCC(C(=O)OCC)C1)c1ccc(Sc2ccccc2OCC)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
MAPT P10636 1/20 0.47
TSHR P16473 4/20 0.47
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 2/20 0.45
HTT P42858 1/20 0.44

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
SCHEMBL6197077 0.92 ITGB2 (0.44) HPGDKMT2ASMN1; SMN2
SCHEMBL6197543 0.83 ITGAL (0.45) TSHRALDH1A1RAB9AHTT
SCHEMBL6197796 0.83 ALDH1A1 (0.41) TSHRALDH1A1KMT2AMEN1KDM4E
SCHEMBL6200189 0.82 HTT (0.63) MAPTTSHRALDH1A1KMT2ASMN1; SMN2
SCHEMBL27557324 0.80 TSHR (0.55) HPGDMAPTTSHRALDH1A1KMT2A
SCHEMBL6197519 0.80 TSHR (0.44) HPGDMAPTTSHRALDH1A1KMT2A
SCHEMBL7849052 0.78 ALDH1A1 (0.61) HPGDMAPTALDH1A1KMT2AMEN1
SCHEMBL6196413 0.78 ALDH1A1 (0.43) MAPTTSHRALDH1A1KMT2AMEN1
SCHEMBL6196822 0.78 ITGB2 (0.50) HPGDTSHRALDH1A1SMN1; SMN2PKM
SCHEMBL6198227 0.78 ITGB2 (0.55) HPGDMAPTTSHRALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US claimed
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP claimed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US claimed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US claimed
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US disclosed
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP disclosed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
EP-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 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-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ICAM1, VCAM1, EPCAM HPGD 1531/4885MAPT 3667/4885TSHR 4775/4885

“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.