SCHEMBL2444007

SCHEMBL2444007

CC(C)C(=O)C(c1ccccc1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.54
KMT2A Q03164 2/20 0.50
HDAC1 Q13547 5/20 0.45
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
LMNA P02545 4/20 0.44
TSHR P16473 2/20 0.44
SRC P12931 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL28285858 0.91 CYP2D6 (0.58) CYP2D6KMT2AHDAC1HDAC3HDAC4
Hydrochloric Acid SCHEMBL28825923 0.87 CYP2D6 (0.54) CYP2D6KMT2AHDAC1HDAC3HDAC4
Aluminum Chloride Anhydrous SCHEMBL28825922 0.83 CYP2D6 (0.50) CYP2D6KMT2AHDAC1HDAC3HDAC4
SCHEMBL27851030 0.83 CYP2D6 (0.50) CYP2D6KMT2AHDAC1HDAC3HDAC4
SCHEMBL66944 0.82 CYP2D6 (0.73) CYP2D6KMT2AHDAC1HDAC3HDAC4
SCHEMBL193565 0.82 CYP2D6 (0.73) CYP2D6KMT2AHDAC1HDAC3HDAC4
SCHEMBL5158960 0.82 CYP2D6 (0.73) CYP2D6KMT2AHDAC1HDAC3HDAC4
SCHEMBL7654832 0.81 KMT2A (0.59) CYP2D6KMT2AHDAC1HDAC3HDAC4
SCHEMBL27477586 0.80 CYP2D6 (0.52) CYP2D6KMT2ALMNASRCMEN1
Hydrochloric Acid SCHEMBL10872012 0.80 CYP2D6 (0.70) CYP2D6KMT2AHDAC1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102300550-A Perfume systems 2011-12-28 CN claimed
EP-2362765-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-07 EP claimed
WO-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 WO claimed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 US claimed
WO-2021043209-A1 RET INHIBITOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF 广东东阳光药业有限公司 2021-03-11 WO disclosed
EP-2362765-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2020-04-08 EP disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 US disclosed
US-9394279-B2 Anti-viral compounds ABBVIE INC. (US) 2016-07-19 US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
US-8921514-B2 Anti-viral compounds ABBVIE INC. (US) 2014-12-30 US disclosed
US-8431520-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2013-04-30 US disclosed
US-8431520-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2013-04-30 US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US disclosed
WO-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 WO disclosed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 US disclosed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 US disclosed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 US disclosed
US-7485625-B2 Inhibitors of hepatitis C virus NS3/NS4a serine protease SCHERING CORPORATION (US) 2009-02-03 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 (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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CYP2D6 3539/4885KMT2A 4093/4885HDAC1 1199/4885
US-20100137178-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 CYP2D6 871/4885KMT2A 4626/4885HDAC1 3739/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CYP2D6 3539/4885KMT2A 4093/4885HDAC1 1199/4885

“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.