SCHEMBL5651919

SCHEMBL5651919

O=C(O)[CH]c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
KDM4E B2RXH2 2/20 0.53
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
CDC25B P30305 1/20 0.48
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
NPY1R P25929 1/20 0.46
MAPK1 P28482 1/20 0.46
NPY2R P49146 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1B1 Q16678 1/20 0.46

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
SCHEMBL1086540 0.83 GRIN2D (0.53) NR4A1NR4A2NR4A3KDM4EHDAC8
SCHEMBL3245844 0.82 CYP1A2 (0.54) NR4A1NR4A2NR4A3KDM4EHDAC8
SCHEMBL3245346 0.82 MTNR1A (0.57) NR4A1NR4A2NR4A3KDM4EHDAC8
SCHEMBL29470165 0.80 HDAC8 (0.67) KDM4EHDAC8HDAC6MTNR1AMTNR1B
SCHEMBL2903467 0.80 HDAC8 (0.67) KDM4EHDAC8HDAC6MTNR1AMTNR1B
SCHEMBL79668 0.80 HDAC8 (0.67) KDM4EHDAC8HDAC6MTNR1AMTNR1B
SCHEMBL29404405 0.80 HDAC8 (0.67) KDM4EHDAC8HDAC6MTNR1AMTNR1B
SCHEMBL600540 0.80 HDAC8 (0.67) KDM4EHDAC8HDAC6MTNR1AMTNR1B
SCHEMBL28312715 0.80 MTNR1A (0.56) NR4A1NR4A2NR4A3KDM4EHDAC8
Bicarbonate SCHEMBL8390328 0.79 HDAC8 (0.51) NR4A1NR4A2NR4A3KDM4EHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060257917-A1 FLUORESCENT DYES, ENERGY TRANSFER COUPLES AND METHODS MILLIPORE CORPORATION 2006-11-16 US claimed
US-7091348-B2 Fluorescent dyes, energy transfer couples and methods GUAVA TECHNOLOGIES, INC. (US) 2006-08-15 US claimed
EP-1539728-A2 FLUORESCENT DYES, ENERGY TRANSFER COUPLES AND METHODS Guava Technologies, Inc. (US) 2005-06-15 EP claimed
US-20040073014-A1 Fluorescent dyes, energy transfer couples and methods EMD MILLIPORE CORPORATION 2004-04-15 US claimed
WO-2004003510-A2 FLUORESCENT DYES, ENERGY TRANSFER COUPLES AND METHODS GUAVA TECHNOLOGIES, INC. (US) 2004-01-08 WO claimed
US-20060257917-A1 FLUORESCENT DYES, ENERGY TRANSFER COUPLES AND METHODS MILLIPORE CORPORATION 2006-11-16 US disclosed
US-7091348-B2 Fluorescent dyes, energy transfer couples and methods GUAVA TECHNOLOGIES, INC. (US) 2006-08-15 US disclosed
EP-1539728-A2 FLUORESCENT DYES, ENERGY TRANSFER COUPLES AND METHODS Guava Technologies, Inc. (US) 2005-06-15 EP disclosed
US-20040073014-A1 Fluorescent dyes, energy transfer couples and methods EMD MILLIPORE CORPORATION 2004-04-15 US disclosed
WO-2004003510-A2 FLUORESCENT DYES, ENERGY TRANSFER COUPLES AND METHODS GUAVA TECHNOLOGIES, INC. (US) 2004-01-08 WO disclosed
EP-0179808-B1 PHARMACEUTICAL COMPOSITION SUITABLE FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-10-30 EP disclosed
US-5017609-A Storage stability, adrenergic blocking agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-21 US disclosed
WO-1985004580-A1 PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1985-10-24 WO disclosed
US-4288364-A REACTING A 3-/2-HYDROXYIMINOACETYLAMINO/-2-OXOAZETIDINE WITH AN ORGANIC CARBONATE OR ACYL HALIDE CIBA-GEIGY CORPORATION (US) 1981-09-08 US disclosed
EP-0005507-A1 Process for the fragmentation of 3-(2-hydroxyimino-acetylamino)-2-oxo azetidin compounds and compounds obtained thereby CIBA-GEIGY AG (CH) 1979-11-28 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-20060257917-A1 FLUORESCENT DYES, ENERGY TRANSFER COUPLES AND METHODS TIMM50, TIMM44, APEX1 NR4A1 2389/4885NR4A2 2433/4885NR4A3 2051/4885

“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.