SCHEMBL6173663

SCHEMBL6173663

COc1ccc(Br)c(OC(C)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.56
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 6/20 0.46
HPGD P15428 3/20 0.46
F2 P00734 1/20 0.46
GLA P06280 1/20 0.46
KMT2A Q03164 5/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45

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
SCHEMBL9280624 0.87 BACE1 (0.57) BACE1KDM4EALDH1A1HPGDF2
SCHEMBL27627378 0.86 KDM4E (0.53) BACE1KDM4ENPC1ALDH1A1KMT2A
SCHEMBL11793587 0.83 BACE1 (0.61) BACE1KDM4ENPC1ALDH1A1HPGD
SCHEMBL3328971 0.81 TSHR (0.64) BACE1KDM4ENPC1ALDH1A1KMT2A
SCHEMBL3327344 0.81 CA12 (0.63) BACE1KDM4ENPC1ALDH1A1KMT2A
SCHEMBL9037509 0.81 ESR1 (0.45) NPC1ALDH1A1HPGDKMT2AMEN1
SCHEMBL29136780 0.80 ALDH1A1 (0.44) KDM4ENPC1ALDH1A1KMT2AMAPT
SCHEMBL6198832 0.80 BACE1 (0.57) BACE1KDM4ENPC1ALDH1A1HPGD
SCHEMBL197729 0.79 CFD (0.50) BACE1KDM4EALDH1A1HPGDKMT2A
SCHEMBL10333682 0.79 NCEH1 (0.43) KDM4ENPC1ALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991625-B1 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-06-01 EP disclosed
US-6602895-B2 Inhibitors of factor Xa with a neutral P1 specificity group BRISTOL-MYERS SQUIBB COMPANY 2003-08-05 US disclosed
US-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group GALEMMO ROBERT A (US) 2003-05-15 US disclosed
US-6403620-B1 ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-11 US disclosed
EP-0991625-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 2000-04-12 EP disclosed
US-5998424-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-12-07 US disclosed
WO-1998057937-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-23 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 (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-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group F12, F11, SERPINC1 BACE1 902/4885KDM4E 3737/4885NPC1 787/4885

“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.