SCHEMBL765360

SCHEMBL765360

COc1ccccc1CC(=O)CC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
ATM Q13315 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
TSHR P16473 2/20 0.54
MAPT P10636 1/20 0.54
TAAR1 Q96RJ0 1/20 0.52
GAA P10253 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL28118170 0.87 ATM (0.58) MTNR1AMTNR1BATMMEN1KMT2A
SCHEMBL8398835 0.86 TAAR1 (0.56) MTNR1AMTNR1BATMMEN1KMT2A
SCHEMBL266821 0.85 L3MBTL1 (0.64) MTNR1AMTNR1BMEN1KMT2ATSHR
SCHEMBL29737506 0.85 L3MBTL1 (0.64) MTNR1AMTNR1BMEN1KMT2ATSHR
SCHEMBL4479762 0.82 KMT2A (0.54) ATMMEN1KMT2ATSHRMAPT
SCHEMBL29014549 0.81 TSHR (0.57) ATMMEN1KMT2ATSHRMAPT
SCHEMBL12731509 0.81 ATM (0.52) MTNR1AMTNR1BATMMEN1KMT2A
SCHEMBL3005345 0.81 TAAR1 (0.54) MTNR1AMTNR1BATMMEN1KMT2A
SCHEMBL30027909 0.80 MEN1 (0.58) MTNR1AMTNR1BATMMEN1KMT2A
SCHEMBL468013 0.80 MEN1 (0.58) MTNR1AMTNR1BATMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2017-12-07 US disclosed
US-20160257651-A1 NOVEL COMPOUND WITH ANTIBACTERIAL ACTIVITY JUNTENDO EDUCATIONAL FOUNDATION (JP) 2016-09-08 US disclosed
EP-1904583-B1 PIGMENT DISPERSIONS WITH POLYMERIC DISPERSANTS HAVING PENDING CHROMOPHORE GROUPS. AGFA GRAPHICS NV (BE) 2012-03-21 EP disclosed
US-20110207860-A1 Inkjet Ink Compositions Comprising Polymeric Dispersants Having Attached Chromophore Groups CABOT CORPORATION (US) 2011-08-25 US disclosed
US-7947761-B2 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION (US) 2011-05-24 US disclosed
EP-1904592-B1 PHENYLAZO-ACETOACETANILIDE DERIVATIVES WITH A POLYMER! ZABLE FUNCTIONAL GROUP AND RELATED COMPOUNDS AS MONOMERS FOR PREPARING POLYMERIC PIGMENT DISPERSANTS FOR INKJET INKS AGFA GRAPHICS NV (BE) 2009-11-25 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 (2 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-20160257651-A1 NOVEL COMPOUND WITH ANTIBACTERIAL ACTIVITY SLC11A2, RELA, NFKBIA MTNR1A 3125/4885MTNR1B 2802/4885ATM 3958/4885
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS BRD4, BRD3, BRDT MTNR1A 3116/4885MTNR1B 2944/4885ATM 568/4885

“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.