SCHEMBL3823835

SCHEMBL3823835

CC(C)(C)c1ccc(C(=O)CC(O)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
ALDH1A1 P00352 5/20 0.52
NPC1 O15118 4/20 0.52
RECQL P46063 2/20 0.52
PDPK1 O15530 1/20 0.50
APAF1 O14727 1/20 0.49
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 4/20 0.48
HSP90AA1 P07900 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.45
APEX1 P27695 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
EPHX1 P07099 5/20 0.45
SRD5A2 P31213 1/20 0.45
MLNR O43193 1/20 0.45
NR1I2 O75469 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
SCHEMBL3826558 0.94 RAB9A (0.49) RAB9AALDH1A1NPC1RECQLPDPK1
SCHEMBL3077522 0.83 TSHR (0.59) RAB9AALDH1A1NPC1PDPK1MAPT
SCHEMBL7050949 0.83 TSHR (0.59) RAB9AALDH1A1NPC1PDPK1MAPT
SCHEMBL2634592 0.82 ALDH1A1 (0.67) RAB9AALDH1A1NPC1RECQLMAPT
SCHEMBL2633940 0.82 ALDH1A1 (0.67) RAB9AALDH1A1NPC1RECQLMAPT
SCHEMBL2633915 0.82 ALDH1A1 (0.67) RAB9AALDH1A1NPC1RECQLMAPT
SCHEMBL26820508 0.82 KMT2A (0.58) RAB9AALDH1A1NPC1PDPK1MAPT
SCHEMBL29110675 0.82 KMT2A (0.58) RAB9AALDH1A1NPC1PDPK1MAPT
SCHEMBL11523999 0.81 APAF1 (0.52) RAB9AALDH1A1NPC1RECQLPDPK1
SCHEMBL29110668 0.79 PDPK1 (0.60) PDPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010294-B1 ANTIOXIDANTS MERCK PATENT GMBH (DE) 2015-12-02 EP claimed
US-7906684-B2 Antioxidants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-03-15 US claimed
US-20090246158-A1 ANTIOXIDANTS MERCK PATENT GESELLSCHAFT (DE) 2009-10-01 US claimed
EP-2010294-A1 ANTIOXIDANTS Merck Patent GmbH (DE) 2009-01-07 EP claimed
WO-2007121845-A1 ANTIOXIDANTS MERCK PATENT GMBH (DE) 2007-11-01 WO claimed
EP-2010294-B1 ANTIOXIDANTS MERCK PATENT GMBH (DE) 2015-12-02 EP disclosed
US-7906684-B2 Antioxidants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-03-15 US disclosed
US-20090246158-A1 ANTIOXIDANTS MERCK PATENT GESELLSCHAFT (DE) 2009-10-01 US disclosed
EP-2010294-A1 ANTIOXIDANTS Merck Patent GmbH (DE) 2009-01-07 EP disclosed
WO-2007121845-A1 ANTIOXIDANTS MERCK PATENT GMBH (DE) 2007-11-01 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-20090246158-A1 ANTIOXIDANTS LPO, GPX1, GPX4 RAB9A 1823/4885ALDH1A1 408/4885NPC1 680/4885

“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.