SCHEMBL10088552

SCHEMBL10088552

Cc1ccccc1-c1ccc(CO)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
PDK2 Q15119 2/20 0.44
CHEK1 O14757 1/20 0.44
ESR2 Q92731 2/20 0.41
TSHR P16473 2/20 0.39
HTR7 P34969 2/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
TTR P02766 1/20 0.37
ROCK1 Q13464 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL4919837 0.89 ESR2 (0.43) PDK2CHEK1ESR2TSHRS1PR1
SCHEMBL12388488 0.85 PDK2 (0.43) PPARGPPARAPDK2CHEK1ESR2
SCHEMBL15413958 0.84 ESR2 (0.60) PPARGPPARAESR2TSHRMEN1
SCHEMBL629058 0.81 MYC (0.50) PPARGPPARA
SCHEMBL1372979 0.81 NSD2 (0.44) PPARGPDK2CHEK1ESR2TSHR
SCHEMBL10088935 0.81 PDK2 (0.47) PDK2CHEK1TSHRGAAS1PR1
SCHEMBL13652385 0.80 PDK2 (0.42) PPARAPDK2CHEK1S1PR1PDCD1
SCHEMBL8188945 0.79 HDAC8 (0.50) PPARGPPARATSHRHTR7HDAC8
SCHEMBL21753319 0.79 MKNK1 (0.42) PPARGPDK2CHEK1S1PR1S1PR3
SCHEMBL7576242 0.78 AR (0.44) ESR2TSHR

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-9828338-B2 Carbamate derivatives of lactam based N-acylethanolamine acid amidase (NAAA) inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-28 US disclosed
US-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-03-10 US disclosed
WO-2014144836-A2 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-18 WO disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 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-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS NAAA, FAAH, FAAH2 PPARG 720/4885PPARA 170/4885PDK2 3442/4885
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 PPARG 265/4885PPARA 165/4885PDK2 955/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 PPARG 131/4885PPARA 99/4885PDK2 549/4885

“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.