SCHEMBL6444587

SCHEMBL6444587

C[CH]OC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.49
▸ FABP5 Q01469 3/20 0.48
▸ FABP7 O15540 2/20 0.48
▸ EPHX2 P34913 1/20 0.46
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CASP3 P42574 3/20 0.44
▸ POLB P06746 1/20 0.40

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
SCHEMBL29697690 0.86 KMT2A (0.50) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL5796019 0.86 KMT2A (0.50) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL44676 0.85 KMT2A (0.58) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL15119354 0.82 KMT2A (0.60) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL15058849 0.82 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL20903881 0.81 KMT2A (0.51) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL29696877 0.80 KMT2A (0.45) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL17167370 0.79 KMT2A (0.56) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL13044481 0.79 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL5337013 0.78 ALDH1A1 (0.46) KMT2AFABP5FABP7EPHX2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 — — US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 — — EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 — — WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 — — US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 — — EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 — — EP 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 KMT2A 3442/4885FABP5 2621/4885FABP7 507/4885

“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.

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