SCHEMBL1928503

SCHEMBL1928503

CC(C)OC(=O)c1ccccc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA7 P43166 4/20 0.48
CA9 Q16790 4/20 0.48
CA14 Q9ULX7 4/20 0.48
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
HPGD P15428 2/20 0.46
USP2 O75604 1/20 0.46
CYP2C9 P11712 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
SCHEMBL30784110 1.00 NPC1 (0.54) NPC1TSHRHTTPDCD1CD274
SCHEMBL1785248 0.89 TSHR (0.52) NPC1TSHRHTTALDH1A1KDM4E
SCHEMBL137907 0.86 NPC1 (0.62) NPC1TSHRHTTPDCD1CD274
SCHEMBL5841557 0.84 NPC1 (0.50) NPC1TSHRHTTPDCD1CD274
SCHEMBL1785225 0.84 TSHR (0.59) NPC1TSHRHTTALDH1A1KDM4E
SCHEMBL7593464 0.84 CA12 (0.58) NPC1TSHRHTTPDCD1CD274
SCHEMBL31454731 0.84 TSHR (0.59) NPC1TSHRHTTALDH1A1KDM4E
SCHEMBL4833869 0.84 TSHR (0.49) NPC1TSHRHTTALDH1A1KDM4E
SCHEMBL17707767 0.82 NPC1 (0.49) NPC1TSHRHTTPDCD1CD274
SCHEMBL22164112 0.80 NPC1 (0.57) NPC1TSHRHTTPDCD1CD274

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024026424-A1 QUINAZOLINONE DERIVATIVES AS AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
US-20200147597-A1 HYDROGENATION AND DEHYDROGENATION CATALYST, AND METHODS OF MAKING AND USING THE SAME GOUSSEV DMITRI (CA) 2020-05-14 US disclosed
EP-2744815-B1 HYDROGENATION AND DEHYDROGENATION CATALYST, AND METHODS OF MAKING AND USING THE SAME GOUSSEV DMITRI (CA) 2019-01-16 EP disclosed
CN-104496899-A Synthesis method of midbody of Montelukast sodium ARROMAX PHARMACEUTICAL TECHNOLOGY SUZHOU CO LTD 2015-04-08 CN disclosed
US-20140328748-A1 HYDROGENATION AND DEHYDROGENATION CATALYST, AND METHODS OF MAKING AND USING THE SAME GOUSSEV DMITRI (CA) 2014-11-06 US disclosed
US-20140328748-A1 HYDROGENATION AND DEHYDROGENATION CATALYST, AND METHODS OF MAKING AND USING THE SAME GOUSSEV DMITRI (CA) 2014-11-06 US disclosed
WO-2013023307-A1 HYDROGENATION AND DEHYDROGENATION CATALYST, AND METHODS OF MAKING AND USING THE SAME GOUSSEV DMITRI (CA) 2013-02-21 WO disclosed
US-20120190861-A1 Levodopa Prodrugs, and Compositions and Uses Thereof XENOPORT, INC. (US) 2012-07-26 US disclosed
EP-1751087-B1 LEVODOPA DERIVATIVES, AND COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2012-06-27 EP disclosed
US-8163958-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2012-04-24 US disclosed
US-7534813-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2009-05-19 US disclosed
US-20080132570-A1 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-06-05 US disclosed
US-7342131-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-03-11 US disclosed
US-20050282891-A1 Levodopa prodrugs, and compositions and uses thereof WILSHIRE PHARMACEUTICALS, INC. 2005-12-22 US disclosed
EP-0461079-B1 Substituted phthalides and heterocyclic phthalides CIBA GEIGY AG (CH) 1997-07-16 EP disclosed
US-5627138-A HERBICIDES SANDOZ LTD. (CH) 1997-05-06 US disclosed
US-5627137-A HERBICIDES SANDOZ LTD. (CH) 1997-05-06 US disclosed
US-5561101-A HERBICIDES SANDOZ LTD. (CH) 1996-10-01 US disclosed
US-5506192-A HERBICIDES SANDOZ LTD. 1996-04-09 US disclosed
EP-0461079-A2 Substituted phthalides and heterocyclic phthalides SANDOZ LTD. (CH) 1991-12-11 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 (5 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-20200147597-A1 HYDROGENATION AND DEHYDROGENATION CATALYST, AND METHODS OF MAKING AND USING THE SAME HSDL2, HSD11B2, HSD11B1 NPC1 3647/4885TSHR 2469/4885HTT 1248/4885
US-20080132570-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC NPC1 3417/4885TSHR 2158/4885HTT 648/4885
US-20140328748-A1 HYDROGENATION AND DEHYDROGENATION CATALYST, AND METHODS OF MAKING AND USING THE SAME HSDL2, HSD11B2, HSD11B1 NPC1 3647/4885TSHR 2469/4885HTT 1248/4885
US-20050282891-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC NPC1 3417/4885TSHR 2158/4885HTT 648/4885
US-20120190861-A1 Levodopa Prodrugs, and Compositions and Uses Thereof COMT, DDT, DDC NPC1 3417/4885TSHR 2158/4885HTT 648/4885

“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.