SCHEMBL5992371

SCHEMBL5992371

CC(CCC(=O)O)CCC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.36
MEN1 O00255 2/20 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
SCHEMBL23727482 0.87 CYP2D6 (0.41) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL17344466 0.82 TSHR (0.38) CYP2D6MEN1KMT2AGAAHDAC3
SCHEMBL11053349 0.82 CYP2D6 (0.44) CYP2D6MEN1KMT2AGAAHDAC3
SCHEMBL13804167 0.82 CYP2D6 (0.37) CYP2D6MEN1KMT2AGAAHDAC3
SCHEMBL22110452 0.81 CTSK (0.47) MAPTTSHR
SCHEMBL6183615 0.81 CYP2D6 (0.36) CYP2D6MEN1KMT2AGAAHDAC3
SCHEMBL27291946 0.81 CYP2D6 (0.36) CYP2D6MEN1KMT2AGAAHDAC3
SCHEMBL7411881 0.81 CYP2D6 (0.36) CYP2D6MEN1KMT2AGAAHDAC3
SCHEMBL27603782 0.81 CYP2D6 (0.36) CYP2D6MEN1KMT2AGAAHDAC3
SCHEMBL28043657 0.81 CYP2D6 (0.36) CYP2D6MEN1KMT2AGAAHDAC3

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
EP-0917462-B1 CELL ADHESION INHIBITORS BIOGEN IDEC INC (US) 2006-09-13 EP disclosed
US-20060030553-A1 Cell adhesion inhibitors ZHENG ZHONGLI 2006-02-09 US disclosed
US-6949534-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2005-09-27 US disclosed
US-20040053907-A1 Cell adhesion inhibitors BIOGEN, INC. A MASSACHUSETTS CORPORATION. 2004-03-18 US disclosed
CN-1478472-A Cell adhesion inhibitor ¸ 2004-03-03 CN disclosed
US-6686350-B1 Cell adhesion inhibitors BIOGEN, INC. 2004-02-03 US disclosed
EP-1179529-A1 NOVEL HYDROXAMIC ACID DERIVATIVES Daiichi Fine Chemical Co., Ltd. (JP) 2002-02-13 EP disclosed
CN-1230110-A Cell adhesion inhibitors BIOGEN INC (US) 1999-09-29 CN disclosed
EP-0917462-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1999-05-26 EP disclosed
WO-1998004247-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1998-02-05 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 (2 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-20040053907-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM MAPT 2771/4885GABRP 3251/4885GABRD 3911/4885
US-20060030553-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM MAPT 2771/4885GABRP 3251/4885GABRD 3911/4885

“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.