SCHEMBL2037979

SCHEMBL2037979

CC(=O)c1cccc(OC(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
MAOB P27338 12/20 0.53
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 1/20 0.50
MAOA P21397 4/20 0.49
CYP1A2 P05177 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TRPV1 Q8NER1 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
SCHEMBL593324 0.85 AKR1C3 (0.59) KMT2ANPC1RAB9ACES2CES1
SCHEMBL7408864 0.85 CES2 (0.47) KMT2AMEN1NPC1RAB9ACES2
SCHEMBL16952658 0.85 NPC1 (0.43) KMT2AMEN1MAOBNPC1RAB9A
SCHEMBL5331403 0.84 MAOB (0.53) KMT2AMEN1MAOBNPC1ALDH1A1
SCHEMBL7771074 0.84 CES2 (0.46) KMT2AMEN1MAOBNPC1RAB9A
SCHEMBL7771077 0.84 PARP1 (0.66) CES2CES1L3MBTL1
SCHEMBL29742938 0.84 MAOB (0.55) KMT2AMEN1MAOBNPC1ALDH1A1
SCHEMBL697586 0.84 MAOB (0.55) KMT2AMEN1MAOBNPC1ALDH1A1
SCHEMBL21658556 0.84 CES2 (0.46) KMT2AMEN1MAOBNPC1ALDH1A1
SCHEMBL23343631 0.82 SMN1; SMN2 (0.54) KMT2AMEN1NPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771321-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2017-09-26 US disclosed
US-9771321-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2017-09-26 US disclosed
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2017-07-06 US disclosed
EP-1902012-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINOALKYLPHENOLS BASF SE (DE) 2015-12-09 EP disclosed
US-20140336254-A1 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2014-11-13 US disclosed
US-8703815-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2014-04-22 US disclosed
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-25 US disclosed
US-7968328-B2 Method for producing optically active aminoalkylphenols BASF SE (DE) 2011-06-28 US disclosed
US-20100209980-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINOALKYLPHENOLS BASF AKTIENGESELLSCHAFT (DE) 2010-08-19 US disclosed
EP-1902012-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINOALKYLPHENOLS BASF SE (DE) 2008-03-26 EP disclosed
WO-2006136538-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINOALKYLPHENOLS BASF AKTIENGESELLSCHAFT (DE) 2006-12-28 WO disclosed
US-5521179-A Heterocyclic amides ZENECA LIMITED (GB) 1996-05-28 US disclosed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 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 (3 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-20140336254-A1 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB KMT2A 3072/4885MEN1 2496/4885MAOB 1686/4885
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB KMT2A 3072/4885MEN1 2496/4885MAOB 1686/4885
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN TTR, TTPA, APOB KMT2A 3072/4885MEN1 2496/4885MAOB 1686/4885

“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.