SCHEMBL6848611

SCHEMBL6848611

CCNC(=O)c1ccc(C)c(CC)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.51
NR1H4 Q96RI1 1/20 0.46
HPGD P15428 3/20 0.45
ALDH1A1 P00352 3/20 0.44
LCK P06239 1/20 0.43
PDK2 Q15119 2/20 0.43
NPC1 O15118 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 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
SCHEMBL13614965 0.90 MAPK14 (0.49) MAPK14NR1H4HPGDALDH1A1LCK
SCHEMBL10950068 0.88 MAPK14 (0.48) MAPK14NR1H4HPGDALDH1A1LCK
SCHEMBL4151138 0.85 NR1H4 (0.61) MAPK14NR1H4HPGDNPC1KMT2A
SCHEMBL18781295 0.84 PLK1 (0.56) HPGD
SCHEMBL18661954 0.82 MAPK14 (0.51) MAPK14NR1H4HPGDALDH1A1LCK
SCHEMBL13753864 0.81 HPGD (0.68) MAPK14HPGDALDH1A1NPC1KMT2A
SCHEMBL5707117 0.81 HDAC1 (0.67) MAPK14NR1H4HPGDALDH1A1LCK
SCHEMBL12958467 0.81 MAPK14 (0.50) MAPK14NR1H4HPGDALDH1A1LCK
SCHEMBL13265891 0.81 KDM4E (0.58) MAPK14HPGDALDH1A1NPC1KMT2A
SCHEMBL3250190 0.81 MAPT (0.59) MAPK14NR1H4HPGDALDH1A1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040022834-A1 Pharmaceutical oxan preparation PIERRE FABRE MEDICAMENT (FR) 2004-02-05 US claimed
EP-1322298-A1 PHARMACEUTICAL OXAN PREPARATION PIERRE FABRE MEDICAMENT (FR) 2003-07-02 EP claimed
WO-2002026216-A1 PHARMACEUTICAL OXAN PREPARATION PIERRE FABRE MEDICAMENT (FR) 2002-04-04 WO claimed
WO-2001070224-A2 RILMENIDINE DRESSING AND METHOD FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2001-09-27 WO claimed
US-4164561-A CITRAL, CITRONELLA OIL, DIETHYLTOLUAMIDE HAUTMANN HORST (DE) 1979-08-14 US claimed
JP-7112902-A None JP disclosed
WO-2014011695-A2 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. (US) 2014-01-16 WO disclosed
US-20040022834-A1 Pharmaceutical oxan preparation PIERRE FABRE MEDICAMENT (FR) 2004-02-05 US disclosed
EP-1322298-A1 PHARMACEUTICAL OXAN PREPARATION PIERRE FABRE MEDICAMENT (FR) 2003-07-02 EP disclosed
WO-2002026216-A1 PHARMACEUTICAL OXAN PREPARATION PIERRE FABRE MEDICAMENT (FR) 2002-04-04 WO disclosed
WO-2001070224-A2 RILMENIDINE DRESSING AND METHOD FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2001-09-27 WO disclosed
WO-2001041702-A2 ZINC THIOSALICYLATE, DERMATOLOGICAL COMPOSITIONS CONTAINING SAME, IN PARTICULAR IN THE FORM OF A SELF-ADHESIVE DEVICE AND METHOD FOR PREPARING SAME PIERRE FABRE DERMO-COSMETIQUE (FR) 2001-06-14 WO disclosed
JP-H07112902-A COCKROACH REPELLENT COMPOSITION DAIWA KAGAKU KOGYO KK 1995-05-02 JP disclosed
EP-0067533-B1 PROCESS OF SPRAY MICRO-ENCAPSULATION AND COMPOSITION FOR USE THEREIN ENVIRONMENTAL CHEMICALS, INC. (US) 1986-03-12 EP disclosed
EP-0067533-A1 Process of spray micro-encapsulation and composition for use therein ENVIRONMENTAL CHEMICALS, INC. (US) 1982-12-22 EP disclosed
US-4353962-A USING AN ACRYLIC POLYMER ENVIRONMENTAL CHEMICALS, INC. (US) 1982-10-12 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-20040022834-A1 Pharmaceutical oxan preparation OXA1L, OSTC, OTC MAPK14 4268/4885NR1H4 1628/4885HPGD 378/4885

“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.