SCHEMBL4743736

SCHEMBL4743736

CCN(CC)c1ccc(C(=O)c2ccccc2C(C)=O)c(O)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.80
KMT2A Q03164 5/20 0.80
SMN1; SMN2 Q16637 3/20 0.80
L3MBTL1 Q9Y468 2/20 0.80
ALDH1A1 P00352 8/20 0.61
KDM4E B2RXH2 4/20 0.61
GAA P10253 4/20 0.61
POLB P06746 1/20 0.61
MAPT P10636 8/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MAOB P27338 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
USP2 O75604 2/20 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
SCHEMBL27913467 0.94 MEN1 (0.89) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL22938967 0.90 MEN1 (0.81) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL39206 0.89 KMT2A (1.00) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL22939653 0.88 MEN1 (0.77) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL10061939 0.87 MEN1 (0.78) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL13977801 0.87 MEN1 (0.78) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7846776 0.87 MEN1 (0.78) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL17212260 0.87 ALDH1A1 (0.81) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL8072839 0.86 MEN1 (0.61) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2319068 0.86 MEN1 (0.76) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1

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
WO-2018065359-A1 BARBITURIC ACID DERIVATIVES AS SELF-TANNING SUBSTANCES MERCK PATENT GMBH (DE) 2018-04-12 WO disclosed
US-20150306002-A1 3-HYDROXY-4-OXO-4H-PYRAN- OR 3-HYDROXY-4-OXO-1,4-DIHYDROPYRIDINE DERIVATIVES AS PROTEIN-ADHESIVE ACTIVE SUBSTANCES MERCK PATENT GMBH (DE) 2015-10-29 US disclosed
US-8481775-B2 Method for improving the color index of organopolysiloxanes DSM IP ASSETS B.V. (NL) 2013-07-09 US disclosed
US-20120121524-A1 PHOTO-STABLE COSMETIC OR DERMATOLOGICAL COMPOSITIONS MUELLER STEFAN (DE) 2012-05-17 US disclosed
US-8119107-B2 Photo-stable cosmetic or dermatological compositions BASF SE (DE) 2012-02-21 US disclosed
US-7906684-B2 Antioxidants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-03-15 US disclosed
US-20100143272-A1 Photo-stable cosmetic or dermatological compositions CIBA SPECIALTY CHEMICALS CORPORATION 2010-06-10 US disclosed
US-20090246158-A1 ANTIOXIDANTS MERCK PATENT GESELLSCHAFT (DE) 2009-10-01 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 (4 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-20150306002-A1 3-HYDROXY-4-OXO-4H-PYRAN- OR 3-HYDROXY-4-OXO-1,4-DIHYDROPYRIDINE DERIVATIVES AS PROTEIN-ADHESIVE ACTIVE SUBSTANCES S100A4, CUTA, OCIAD1 MEN1 2911/4885KMT2A 4159/4885SMN1; SMN2 4821/4885
US-20120121524-A1 PHOTO-STABLE COSMETIC OR DERMATOLOGICAL COMPOSITIONS NISCH, CUTA, MITF MEN1 2580/4885KMT2A 2049/4885SMN1; SMN2 3366/4885
US-20090246158-A1 ANTIOXIDANTS LPO, GPX1, GPX4 MEN1 2805/4885KMT2A 2864/4885SMN1; SMN2 1726/4885
US-20100143272-A1 Photo-stable cosmetic or dermatological compositions DBF4, CUTA, ARSA MEN1 975/4885KMT2A 742/4885SMN1; SMN2 3058/4885

“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.