SCHEMBL5882232

SCHEMBL5882232

CC(C)Oc1ccc(C=O)cc1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.52
ALDH1A1 P00352 9/20 0.47
TSHR P16473 1/20 0.47
AOX1 Q06278 1/20 0.43
TYR P14679 1/20 0.42
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
FDPS P14324 1/20 0.41
TRIM24 O15164 1/20 0.40
HPGD P15428 1/20 0.40
ALDH5A1 P51649 1/20 0.40
ABAT P80404 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
TTR P02766 1/20 0.38
PDE4B Q07343 2/20 0.37
TACR2 P21452 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL2046004 0.84 ALDH1A1 (0.63) ALDH1A3ALDH1A1TSHRAOX1TYR
SCHEMBL1713698 0.83 ALDH1A1 (0.57) ALDH1A3ALDH1A1TSHRAOX1TYR
SCHEMBL12476044 0.80 ALDH1A3 (0.53) ALDH1A3ALDH1A1TSHRAOX1TYR
SCHEMBL14033967 0.79 ALDH1A3 (0.52) ALDH1A3ALDH1A1TSHRAOX1TYR
SCHEMBL16358435 0.79 ALDH1A3 (0.52) ALDH1A3ALDH1A1TSHRAOX1TYR
SCHEMBL566457 0.79 ALDH1A1 (0.52) ALDH1A3ALDH1A1TSHRAOX1TYR
SCHEMBL660365 0.79 ALDH1A1 (0.72) ALDH1A3ALDH1A1TSHRAOX1MAPT
SCHEMBL1159006 0.79 ALDH1A1 (0.72) ALDH1A3ALDH1A1TSHRAOX1MAPT
SCHEMBL3631166 0.79 ALDH1A3 (0.52) ALDH1A3ALDH1A1TSHRAOX1TYR
SCHEMBL31009671 0.79 ALDH1A1 (0.72) ALDH1A3ALDH1A1TSHRAOX1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071212-B2 N-(4-carbamimidoyl-phenyl)-glycine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed
CN-1245381-C Phenylglycine derivatives HOFFMANN LA ROCHE (CH) 2006-03-15 CN disclosed
EP-1149069-B1 PHENYLGLYCINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2004-02-19 US disclosed
US-6683215-B2 TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION AND ARTERIOSCLEROSIS, WHICH ARE ASSOCIATED WITH COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA AND TISSUE FACTOR; ANTIINFLAMMATORY AGENTS HOFFMAN-LA ROCHE INC. 2004-01-27 US disclosed
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2003-05-01 US disclosed
US-6476264-B2 ANTICOAGULANT HOFFMANN-LA ROCHE INC. 2002-11-05 US disclosed
CN-1334798-A Phenylglycine derivatives HOFFMANN LA ROCHE (CH) 2002-02-06 CN disclosed
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 US disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 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 (3 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-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A3 4445/4885ALDH1A1 2850/4885TSHR 3764/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A3 4445/4885ALDH1A1 2850/4885TSHR 3764/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A3 4445/4885ALDH1A1 2850/4885TSHR 3764/4885

“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.