SCHEMBL2482006

SCHEMBL2482006

CC(C)n1c2ccccc2c2ccc(C(=O)O)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
HPGD P15428 3/20 0.50
ALDH1A1 P00352 2/20 0.50
PTGER4 P35408 1/20 0.49
NPY5R Q15761 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PARP1 P09874 2/20 0.46
RORC P51449 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
SLC22A12 Q96S37 2/20 0.45
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
HCAR3 P49019 2/20 0.42
HCAR2 Q8TDS4 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 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
SCHEMBL4726929 0.91 KDM4E (0.69) KDM4EHPGDALDH1A1PTGER4NPY5R
SCHEMBL2484304 0.84 PARP1 (0.50) KDM4EALDH1A1PTGER4NPY5RMEN1
SCHEMBL13011119 0.82 KDM4E (0.51) KDM4EHPGDALDH1A1PTGER4MEN1
SCHEMBL3779711 0.82 KDM4E (0.50) KDM4EHPGDALDH1A1PTGER4MEN1
SCHEMBL13011424 0.81 SLC22A12 (0.44) KDM4EHPGDPTGER4SLC22A12POLB
SCHEMBL13011447 0.81 KDM4E (0.52) KDM4EHPGDALDH1A1PTGER4MEN1
SCHEMBL2485766 0.80 HTR2B (0.50) NPY5RMEN1KMT2ARORC
SCHEMBL13011409 0.80 KDM4E (0.49) KDM4EHPGDALDH1A1PTGER4PARP1
SCHEMBL2483599 0.79 KDM4E (0.54) KDM4EHPGDALDH1A1PTGER4MEN1
SCHEMBL2482759 0.79 KDM4E (0.81) KDM4EHPGDALDH1A1PTGER4PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076348-B2 Acylguanidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 US disclosed
EP-1923387-B1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2011-10-19 EP disclosed
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 US disclosed
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 US disclosed
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
CN-101627013-A Acylguanidine derivative ASTELLAS PHARMA INC 2010-01-13 CN disclosed
EP-2119704-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2009-11-18 EP disclosed
CN-101243046-A Acylguanidine derivatives or salts thereof ASTELLAS PHARMA INC (JP) 2008-08-13 CN disclosed
EP-1923387-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-05-21 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 (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-20100324017-A1 ACYLGUANIDINE DERIVATIVE HTR5A, GRM5, HTR1E KDM4E 731/4885HPGD 960/4885ALDH1A1 2104/4885
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF HTR2B, HTR7, HTR3B KDM4E 3089/4885HPGD 1710/4885ALDH1A1 3677/4885

“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.