SCHEMBL5658358

SCHEMBL5658358

Nc1cc(O)c2c(c1)Cc1ccccc1CC2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.44
DRD1 P21728 16/20 0.44
DRD5 P21918 14/20 0.44
DRD4 P21917 9/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD3 P35462 11/20 0.38
CYP2A6 P11509 1/20 0.37
BCL2L1 Q07817 1/20 0.35
BAD Q92934 1/20 0.35
DYRK1A Q13627 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
SCHEMBL7527997 0.80 DRD2 (0.49) DRD2DRD1DRD5DRD4DRD3
SCHEMBL7139434 0.79 DRD2 (0.47) DRD2DRD1DRD5DRD4DRD3
SCHEMBL1276263 0.76 DRD2 (0.56) DRD2DRD1DRD5DRD4ALDH1A1
SCHEMBL250734 0.69 CYP2A6 (0.65) DRD2DRD1DRD5DRD4DRD3
SCHEMBL12191968 0.69 DRD1 (0.49) DRD2DRD1DRD5DRD4DRD3
SCHEMBL1280654 0.68 CD44 (0.48) DRD2DRD1DRD5DRD4KDM4E
SCHEMBL807459 0.66 MAPT (0.72) DRD2DRD1DRD5KDM4ENPC1
SCHEMBL6901150 0.66 DRD1 (0.73) DRD2DRD1DRD5DRD4DRD3
SCHEMBL6903685 0.66 DRD1 (0.76) DRD2DRD1DRD5DRD4DRD3
SCHEMBL2771201 0.65 CYP2A6 (0.48) DRD2DRD1DRD5DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265146-B2 Integrin receptor inhibitors GENENTECH, INC. (US) 2007-09-04 US disclosed
US-20050187284-A1 Integrin receptor inhibitors GENENTECH, INC. (US) 2005-08-25 US disclosed
US-6933314-B2 Integrin receptor inhibitors GENENTECH, INC. (US) 2005-08-23 US disclosed
US-20040077693-A1 Integrin receptor inhibitors GENENTECH, INC. 2004-04-22 US disclosed
US-6706753-B2 2-AMINO-FLUORENE DERIVATIVES USEFUL FOR PROPHYLACTIC AND/OR THERAPEUTIC TREATMENT OF DISEASES AND CONDITIONS ASSOCIATED WITH ALPHA 4 INTERGRINS OR THEIR LIGANDS GENENTECH, INC. 2004-03-16 US disclosed
EP-1330430-A2 INTEGRIN RECEPTOR INHIBITORS GENENTECH, INC. (US) 2003-07-30 EP disclosed
US-20030100599-A1 2-amino-fluorene derivatives useful for prophylactic and/or therapeutic treatment of diseases and conditions associated with alpha 4 intergrins or their ligands GENENTECH, INC. 2003-05-29 US disclosed
US-20020035104-A1 Integrin receptor inhibitors GENENTECH, INC. 2002-03-21 US disclosed
WO-2002016313-A2 INTEGRIN RECEPTOR INHIBITORS GENENTECH, INC. (US) 2002-02-28 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 (4 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-20040077693-A1 Integrin receptor inhibitors ITGB1, ITGA1, ITGA4 DRD2 3328/4885DRD1 3629/4885DRD5 2397/4885
US-20020035104-A1 Integrin receptor inhibitors ITGB1, ITGA1, ITGA4 DRD2 3328/4885DRD1 3629/4885DRD5 2397/4885
US-20050187284-A1 Integrin receptor inhibitors ITGA4, ITGB4, ITGB1 DRD2 3206/4885DRD1 3996/4885DRD5 2227/4885
US-20030100599-A1 2-amino-fluorene derivatives useful for prophylactic and/or therapeutic treatment of diseases and conditions associated with alpha 4 intergrins or their ligands ITGA1, ITGA2, ITGB1 DRD2 2102/4885DRD1 3050/4885DRD5 1847/4885

“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.