SCHEMBL3133679

SCHEMBL3133679

CC(C)(C)c1ccc(O)c(C2CCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 2/20 0.50
HSP90AA1 P07900 2/20 0.50
NUDT1 P36639 1/20 0.50
BACE1 P56817 1/20 0.50
ALOX15 P16050 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
KIF11 P52732 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39

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
Methane SCHEMBL27697714 0.98 CYP2D6 (0.52) CYP2D6CYP1A2CYP2C19ALDH1A1HSD17B10
SCHEMBL11308536 0.98 ALDH1A1 (0.52) CYP2D6CYP1A2CYP2C19ALDH1A1HSD17B10
SCHEMBL29368513 0.90 NUDT1 (0.50) CYP2D6CYP1A2CYP2C19ALDH1A1HSD17B10
SCHEMBL68186 0.90 NUDT1 (0.50) CYP2D6CYP1A2CYP2C19ALDH1A1HSD17B10
SCHEMBL29623103 0.88 NUDT1 (0.49) CYP2D6CYP1A2CYP2C19ALDH1A1HSD17B10
SCHEMBL13609954 0.88 NUDT1 (0.49) CYP2D6CYP1A2CYP2C19ALDH1A1HSD17B10
SCHEMBL2913462 0.85 HSP90AA1 (0.43) CYP2D6CYP1A2CYP2C19ALDH1A1HSD17B10
SCHEMBL2340495 0.84 ESR1 (0.49) CYP2D6CYP1A2CYP2C19ALDH1A1HSD17B10
SCHEMBL17354422 0.84 NUDT1 (0.46) CYP2D6CYP1A2CYP2C19ALDH1A1HSD17B10
SCHEMBL13609943 0.84 NUDT1 (0.46) CYP2D6CYP1A2CYP2C19ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137193-B1 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI SA (FR) 2017-08-09 EP disclosed
US-8642603-B2 Substituted dihydro and tetrahydro oxazolopyrimidinones, preparation and use thereof SANOFI (FR) 2014-02-04 US disclosed
US-20100075994-A1 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2010-03-25 US disclosed
EP-2137193-A2 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF Sanofi-Aventis (FR) 2009-12-30 EP disclosed
WO-2008112483-A2 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2008-09-18 WO disclosed
US-6096293-A APPLYING ORAL COMPOSITION CONTAINING 2,4-DI-TERT-BUTYL PHENOL TO TEETH COLGATE-PALMOLIVE COMPANY (US) 2000-08-01 US disclosed
US-5912274-A WATER INSOLUBLE NONCATIONIC ANTIBACTERIAL PHENOL CONTAINING, RELATIVE TO THE HYDROXYL GROUP, AN ALKYL OR CYCLOALKYL GROUP, PREFERABLY TERT.-BUTYL (T-BUTYL), IN THE 2-POSITION, AND SUBSTITUENTS IN ONE OR BOTH OF THE 4- AND 5-POSITIONS COLGATE-PALMOLIVE COMPANY (US) 1999-06-15 US disclosed
US-4077962-A WATER INSOLUBLE, GREEN-YELLOW, SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1978-03-07 US 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-20100075994-A1 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF GRM2, GRM1, GRIN2C CYP2D6 413/4885CYP1A2 411/4885CYP2C19 377/4885

“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.