SCHEMBL2092525

SCHEMBL2092525

CC(=O)c1c[c]ccc1C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 3/20 0.31
MAPT P10636 2/20 0.31
PBRM1 Q86U86 1/20 0.31
MEN1 O00255 1/20 0.31
NSD2 O96028 1/20 0.31
POLB P06746 1/20 0.31
MCL1 Q07820 1/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL1450340 0.84 SMN1; SMN2 (0.37) ALDH1A1HPGDMAPK1CYP3A4SMN1; SMN2
SCHEMBL1893665 0.82 HPGD (0.41) ALDH1A1HPGDMAPK1CYP3A4SMN1; SMN2
SCHEMBL6326192 0.82 HPGD (0.41) ALDH1A1HPGDMAPK1CYP3A4SMN1; SMN2
SCHEMBL6340582 0.82 SMN1; SMN2 (0.35) ALDH1A1HPGDMAPK1SMN1; SMN2KDM4E
SCHEMBL1206852 0.80 KMT2A (0.38) ALDH1A1SMN1; SMN2KDM4ELMNAKMT2A
SCHEMBL441463 0.80 MAPK1 (0.33) ALDH1A1MAPK1SMN1; SMN2KDM4ELMNA
SCHEMBL7246452 0.80 SMN1; SMN2 (0.36) ALDH1A1HPGDMAPK1CYP3A4SMN1; SMN2
SCHEMBL27339754 0.80 ALDH1A1 (0.32) ALDH1A1HPGDMAPK1CYP3A4SMN1; SMN2
SCHEMBL443893 0.80 CES2 (0.35) ALDH1A1HPGDMAPK1CYP3A4SMN1; SMN2
SCHEMBL7355446 0.79 HTT (0.46) ALDH1A1HPGDMAPK1CYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9532967-B2 Use of phenethyl caffeate derivatives in the preparation of a medicament against tumor angiogenesis LIU JUNYI (CN) 2017-01-03 US claimed
EP-2687211-A1 USE OF PHENETHYL CAFFEATE DERIVATIVES IN THE PREPARATION OF A MEDICAMENT AGAINST TUMOR ANGIOGENESIS Liu, Junyi (CN) 2014-01-22 EP claimed
US-20130303611-A1 USE OF PHENETHYL CAFFEATE DERIVATIVES IN THE PREPARATION OF A MEDICAMENT AGAINST TUMOR ANGIOGENESIS LIU JUNYI (CN) 2013-11-14 US claimed
CN-102198125-A Purpose of phenethyl caffeate derivatives in preparation of medicines for inhibiting angiogenesis of tumors JUNYI LIU 2011-09-28 CN claimed
US-20060241151-A1 Pyrid-2-one derivatives and methods of use AMGEN, INC. (US) 2006-10-26 US claimed
US-20040147561-A1 Pyrid-2-one derivatives and methods of use SYNGENTA CROP PROTECTION AG (CH) 2004-07-29 US claimed
US-9532967-B2 Use of phenethyl caffeate derivatives in the preparation of a medicament against tumor angiogenesis LIU JUNYI (CN) 2017-01-03 US disclosed
EP-2687211-A1 USE OF PHENETHYL CAFFEATE DERIVATIVES IN THE PREPARATION OF A MEDICAMENT AGAINST TUMOR ANGIOGENESIS Liu, Junyi (CN) 2014-01-22 EP disclosed
US-20130303611-A1 USE OF PHENETHYL CAFFEATE DERIVATIVES IN THE PREPARATION OF A MEDICAMENT AGAINST TUMOR ANGIOGENESIS LIU JUNYI (CN) 2013-11-14 US disclosed
CN-102198125-B Purpose of phenethyl caffeate derivatives in preparation of medicines for inhibiting angiogenesis of tumors NANJING AIPIKA BIOTECHNOLOGY CO LTD 2013-02-20 CN disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
CN-102198125-A Purpose of phenethyl caffeate derivatives in preparation of medicines for inhibiting angiogenesis of tumors JUNYI LIU 2011-09-28 CN disclosed
US-7776893-B2 Use of PDE4 inhibitors for the treatment of diabetes mellitus NYCOMED GMBH (DE) 2010-08-17 US disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed
US-4619932-A CENTRAL NERVOUS SYSTEM CONTROLLERS; ANTI-SCHIZOPHRENIA AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-10-28 US disclosed
US-4567187-A CENTRAL NERVOUS SYSTEM OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-01-28 US disclosed
US-4460593-A Carbostyril derivatives, and central nervous system controlling agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-07-17 US disclosed
US-4455422-A ANTIHISTAMINES, CNS CONTROLLERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-19 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-20130303611-A1 USE OF PHENETHYL CAFFEATE DERIVATIVES IN THE PREPARATION OF A MEDICAMENT AGAINST TUMOR ANGIOGENESIS NR4A3, CBR3, NCOA3 ALDH1A1 1484/4885HPGD 3065/4885MAPK1 2014/4885
US-20040147561-A1 Pyrid-2-one derivatives and methods of use PLPBP, PNPO, PDXK ALDH1A1 481/4885HPGD 31/4885MAPK1 694/4885
US-20060241151-A1 Pyrid-2-one derivatives and methods of use PLPBP, PNPO, PDXK ALDH1A1 490/4885HPGD 39/4885MAPK1 718/4885

“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.