SCHEMBL6004374

SCHEMBL6004374

CCOC(=O)CCCCCNC(=O)n1ccc(C(=O)Nc2ccc3c(c2)OCO3)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.61
RAB9A P51151 8/20 0.48
NPC1 O15118 6/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
PKM P14618 2/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.45
MAPT P10636 7/20 0.45
TSHR P16473 2/20 0.45
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 1/20 0.44
NAMPT P43490 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6004808 0.88 ALOX15 (0.56) ALOX15RAB9ANPC1CYP1A2CYP3A4
SCHEMBL6004193 0.83 ALOX15 (0.73) ALOX15RAB9ANPC1ALDH1A1KDM4E
SCHEMBL6002607 0.81 ALOX15 (0.65) ALOX15RAB9ANPC1ALDH1A1MAPT
SCHEMBL6004357 0.80 ALOX15 (0.74) ALOX15RAB9ANPC1HTTPKM
SCHEMBL2909325 0.76 ALOX15 (1.00) ALOX15NPC1ALDH1A1NAMPTL3MBTL1
SCHEMBL6002505 0.76 ALOX15 (0.62) ALOX15RAB9ANPC1CYP1A2CYP3A4
SCHEMBL6004843 0.75 ALOX15 (0.69) ALOX15RAB9ANPC1HTTALDH1A1
SCHEMBL6003798 0.74 ALOX15 (0.63) ALOX15ALDH1A1USP2NAMPTKMT2A
SCHEMBL6004189 0.72 ALOX15 (0.66) ALOX15RAB9ANPC1HTTPKM
SCHEMBL6004044 0.72 ALOX15 (0.74) ALOX15RAB9ANPC1HTTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183780-A1 Pyrazole compounds useful in the treatment of inflammation BIOLIPOX AB (SE) 2006-08-17 US disclosed
EP-1603897-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2005-12-14 EP disclosed
WO-2004080999-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2004-09-23 WO 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-20060183780-A1 Pyrazole compounds useful in the treatment of inflammation ALOX15, ALOX12, ALOX15B ALOX15 1/4885RAB9A 3284/4885NPC1 3112/4885

“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.