SCHEMBL6749439

SCHEMBL6749439

CC(=O)Oc1cc(C)cc(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
CYP3A4 P08684 3/20 0.55
ALDH1A1 P00352 3/20 0.48
ELANE P08246 1/20 0.46
HCAR1 Q9BXC0 1/20 0.45
PTPN1 P18031 1/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 3/20 0.42
TTR P02766 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACHE P22303 2/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
BACE1 P56817 1/20 0.41
CYP19A1 P11511 1/20 0.39
POLB P06746 1/20 0.38
PKM P14618 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
SCHEMBL14351002 0.87 CYP3A4 (0.63) LMNACYP3A4ELANEMAPTMEN1
SCHEMBL320560 0.87 CYP3A4 (0.63) LMNACYP3A4ELANEMAPTMEN1
SCHEMBL1701666 0.87 LMNA (0.63) LMNACYP3A4ALDH1A1ELANEMAPT
SCHEMBL593772 0.87 LMNA (0.63) LMNACYP3A4ALDH1A1ELANEMAPT
SCHEMBL28793573 0.85 LMNA (0.61) LMNACYP3A4ALDH1A1ELANEMAPT
Methoxymethane SCHEMBL29094017 0.83 CYP3A4 (0.59) LMNACYP3A4ELANEMAPTMEN1
SCHEMBL15388887 0.81 ELANE (0.42) LMNACYP3A4ALDH1A1ELANEHCAR1
SCHEMBL19335351 0.80 ELANE (0.51) ALDH1A1ELANEHCAR1PTPN1MAPT
SCHEMBL6194628 0.79 CYP3A4 (0.55) LMNACYP3A4ALDH1A1MAPTMEN1
SCHEMBL14707645 0.79 LMNA (0.55) LMNACYP3A4ALDH1A1ELANEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730783-B2 REACTING AMINOGUANIDINE WITH CARBONYL COMPOUND TO FORM AMIDINOHYDRAZONE; REDUCTION; REACTING WITH ALKOXYAMINE; GUANIDINYLATION; ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-05-04 US disclosed
US-6706765-B2 ESPECIALLY TRYPSIN-LIKE SERINE PROTEASES, SUCH AS CHYMOTRYPSIN, TRYPSIN, THROMBIN, PLASMIN AND FACTOR XA. 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-03-16 US disclosed
US-20040002539-A1 Process for preparing aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-01 US disclosed
US-6638931-B1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-10-28 US disclosed
CN-1441806-A Macrocyclic NS 3-serine protease inhibitors of hepatitis C virus comprising an N-ring P2 moiety SCHERING CORP (US) 2003-09-10 CN disclosed
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-08-21 US disclosed
US-6518310-B2 Non-peptidic; inhibits trypsin-like protease, thrombin and embolus formation; anticoagulant 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-11 US disclosed
EP-0944590-B1 AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-03-20 EP disclosed
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-11-01 US disclosed
US-6235778-B1 ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-05-22 US disclosed
CN-1237961-A Aminoguanidines and alkoxyguanidines as protease inhibitors DIMENSIONAL PHARM INC (US) 1999-12-08 CN 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-20040002539-A1 Process for preparing aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 LMNA 1004/4885CYP3A4 1071/4885ALDH1A1 3412/4885
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors PLG, MMP9, F9 LMNA 1769/4885CYP3A4 1169/4885ALDH1A1 2867/4885
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 LMNA 1787/4885CYP3A4 1158/4885ALDH1A1 3151/4885

“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.