SCHEMBL5156697

SCHEMBL5156697

CCCCCC(C(=O)O)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CNR2 P34972 6/20 0.44
CNR1 P21554 4/20 0.44
ALOX5 P09917 1/20 0.43
CYP2C9 P11712 2/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
EPHX2 P34913 2/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL2024342 0.99 KDM4E (0.49) KDM4EKMT2AL3MBTL1CNR2CNR1
SCHEMBL2536987 0.99 KDM4E (0.49) KDM4EKMT2AL3MBTL1CNR2CNR1
SCHEMBL3740930 0.99 KDM4E (0.49) KDM4EKMT2AL3MBTL1CNR2CNR1
SCHEMBL8015861 0.99 KDM4E (0.49) KDM4EKMT2AL3MBTL1CNR2CNR1
SCHEMBL451183 0.99 KDM4E (0.49) KDM4EKMT2AL3MBTL1CNR2CNR1
SCHEMBL1826965 0.99 KDM4E (0.49) KDM4EKMT2AL3MBTL1CNR2CNR1
SCHEMBL2028355 0.99 KDM4E (0.49) KDM4EKMT2AL3MBTL1CNR2CNR1
SCHEMBL5357939 0.99 KDM4E (0.49) KDM4EKMT2AL3MBTL1CNR2CNR1
SCHEMBL6842064 0.95 ALOX5 (0.44) KDM4EKMT2AL3MBTL1ALOX5CYP2C9
SCHEMBL5351493 0.91 FAAH (0.45) KDM4EKMT2AL3MBTL1CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US claimed
US-4308348-A SALMONELLA, SERRATIA, PROTEUS, PROVIDENCIA LABORATOIRE DE RECHERCHE API (FR) 1981-12-29 US claimed
CN-106471119-A Compositions and methods for increasing yield 诺华股份有限公司 2017-03-01 CN disclosed
CN-101417129-A Gabapentin analogues for fibromyalgia and other related disorders WARNER LAMBERT CO (US) 2009-04-29 CN disclosed
CN-100482645-C Methods of reversing and preventing cardiovascular pathologies ATHEROGENICS INC (US) 2009-04-29 CN disclosed
CN-100430048-C Alpha-2-delta ligands for the treatment of lower urinary tract symptoms WARNER LAMBERT CO (US) 2008-11-05 CN disclosed
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
CN-1874758-A Compositions comprising fenofibrate and pravastatin LIFECYCLE PHARMA AS (DK) 2006-12-06 CN disclosed
CN-1832957-A Novel compounds and compositions comprising sterols and/or stanols and cholesterol biosynthesis inhibitors and use thereofin treating or preventing a variety of diseases and conditions FORBES MEDI TECH INC (CA) 2006-09-13 CN disclosed
CN-1720029-A Alpha-2-delta ligands for the treatment of lower urinary tract symptoms WARNER LAMBERT CO (US) 2006-01-11 CN disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US disclosed
CN-1612855-A Method for reversing and preventing cardiovascular disease ATHEROGENICS INC (US) 2005-05-04 CN disclosed
US-4308348-A SALMONELLA, SERRATIA, PROTEUS, PROVIDENCIA LABORATOIRE DE RECHERCHE API (FR) 1981-12-29 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 (1 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 KDM4E 2227/4885KMT2A 1384/4885L3MBTL1 4022/4885

“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.