SCHEMBL14557955

SCHEMBL14557955

CC(C)CC(=O)N1CCOCC1COc1ccc(C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ KDM4E B2RXH2 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ FKBP1A P62942 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ SRD5A2 P31213 1/20 0.39
▸ RARB P10826 1/20 0.39
▸ NR1H4 Q96RI1 2/20 0.38
▸ ABCB1 P08183 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ PTGER2 P43116 1/20 0.38

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
SCHEMBL14569507 0.88 GAA (0.43) MAPK1ALDH1A1KDM4EHPGDFKBP1A
SCHEMBL14557747 0.83 NPSR1 (0.48) MAPK1ALDH1A1HPGDL3MBTL1PTGER4
SCHEMBL14558011 0.78 MAPK1 (0.47) MAPK1RARB
SCHEMBL14557966 0.78 MAPK1 (0.44) MAPK1ALDH1A1TSHRSRD5A2RARB
SCHEMBL14557978 0.78 MAPK1 (0.47) MAPK1RARBPTGER4PTGER2
SCHEMBL14558030 0.78 MAPK1 (0.47) MAPK1RARBPTGER4PTGER2
SCHEMBL14574075 0.78 MAPK1 (0.47) MAPK1RARBPTGER4PTGER2
SCHEMBL14557973 0.78 MAPK1 (0.47) MAPK1RARB
SCHEMBL14557923 0.77 MAPK1 (0.43) MAPK1SRD5A2RARBNR1H4KMT2A
SCHEMBL14557980 0.77 ITGA4 (0.46) MAPK1RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 — — US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 — — 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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 MAPK1 1430/4885ALDH1A1 120/4885KDM4E 409/4885

“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.

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