SCHEMBL1812262

SCHEMBL1812262

O=[C]c1cccc(C(=O)c2ccccc2)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.48
NR4A1 P22736 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
ATM Q13315 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
PKM P14618 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 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
SCHEMBL9712444 0.88 NR4A1 (0.53) NR4A1MAPTALDH1A1L3MBTL1TDP1
SCHEMBL9712528 0.85 AKR1C3 (0.50) AKR1C3NR4A1GAAMAPTALDH1A1
SCHEMBL1331831 0.83 AKR1C3 (0.57) AKR1C3NR4A1GAAMAPTALDH1A1
SCHEMBL64069 0.83 AKR1C3 (0.57) AKR1C3NR4A1GAAMAPTALDH1A1
SCHEMBL10657458 0.82 AKR1C3 (0.52) AKR1C3NR4A1GAAMAPTALDH1A1
SCHEMBL9760328 0.81 MAPK1 (0.47) GAAMAPTALDH1A1L3MBTL1TDP1
SCHEMBL525385 0.79 AKR1C3 (0.48) AKR1C3NR4A1GAAMAPTALDH1A1
SCHEMBL9249733 0.79 AKR1C3 (0.48) AKR1C3GAAMAPTALDH1A1L3MBTL1
SCHEMBL30403796 0.78 TSHR (0.64) AKR1C3NR4A1GAAMAPTALDH1A1
SCHEMBL334531 0.78 TSHR (0.64) AKR1C3NR4A1GAAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2056897-B1 MEDICAL STENT PROVIDED WITH A COMBINATION OF MELATONIN AND PACLITAXEL BLUE MEDICAL DEVICES B V (NL) 2009-12-30 EP claimed
US-20090258053-A1 MEDICAL STENT PROVIDED WITH A COMBINATION OF MELATONIN AND PACLITAXEL BLUE MEDICAL DEEVICES BV (NL) 2009-10-15 US claimed
EP-2056897-A1 MEDICAL STENT PROVIDED WITH A COMBINATION OF MELATONIN AND PACLITAXEL Blue Medical Devices B.V. (NL) 2009-05-13 EP claimed
US-20080050413-A1 Medical stent provided with a combination of melatonin and paclitaxel BLUE MEDICAL DEVICES BV (NL) 2008-02-28 US claimed
WO-2008023038-A1 MEDICAL STENT PROVIDED WITH A COMBINATION OF MELATONIN AND PACLITAXEL BLUE MEDICAL DEVICES BV (NL) 2008-02-28 WO claimed
US-6632940-B1 Glycosidic coupling between donor and acceptor in presence of Bronsted or Lewis acid to form glucopyranose-D- glucopyranose LABORATOIRES GOEMAR (FR) 2003-10-14 US claimed
US-9610427-B2 Narrow profile composition-releasing expandable medical balloon catheter WELLINQ MEDICAL B.V. (NL) 2017-04-04 US disclosed
US-20160213895-A1 NARROW PROFILE COMPOSITION-RELEASING EXPANDABLE MEDICAL BALLOON CATHETER BLUE MEDICAL DEVICES B.V. (NL) 2016-07-28 US disclosed
EP-2501431-A1 NARROW PROFILE COMPOSITION-RELEASING EXPANDABLE MEDICAL BALLOON CATHETER Blue Medical Devices B.V. (NL) 2012-09-26 EP disclosed
US-20120232640-A1 NARROW PROFILE COMPOSITION-RELEASING EXPANDABLE MEDICAL BALLOON CATHETER BLUE MEDICAL DEVICES BV (NL) 2012-09-13 US disclosed
WO-2011061295-A1 NARROW PROFILE COMPOSITION-RELEASING EXPANDABLE MEDICAL BALLOON CATHETER BLUE MEDICAL DEVICES BV (NL) 2011-05-26 WO disclosed
EP-2056897-B1 MEDICAL STENT PROVIDED WITH A COMBINATION OF MELATONIN AND PACLITAXEL BLUE MEDICAL DEVICES B V (NL) 2009-12-30 EP disclosed
US-20090258053-A1 MEDICAL STENT PROVIDED WITH A COMBINATION OF MELATONIN AND PACLITAXEL BLUE MEDICAL DEEVICES BV (NL) 2009-10-15 US disclosed
EP-2056897-A1 MEDICAL STENT PROVIDED WITH A COMBINATION OF MELATONIN AND PACLITAXEL Blue Medical Devices B.V. (NL) 2009-05-13 EP disclosed
US-20080050413-A1 Medical stent provided with a combination of melatonin and paclitaxel BLUE MEDICAL DEVICES BV (NL) 2008-02-28 US disclosed
WO-2008023038-A1 MEDICAL STENT PROVIDED WITH A COMBINATION OF MELATONIN AND PACLITAXEL BLUE MEDICAL DEVICES BV (NL) 2008-02-28 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-20090258053-A1 MEDICAL STENT PROVIDED WITH A COMBINATION OF MELATONIN AND PACLITAXEL MTNR1B, MTNR1A, MYLK AKR1C3 4167/4885NR4A1 2018/4885GAA 3758/4885

“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.