SCHEMBL4780368

SCHEMBL4780368

COC(=O)CCCNC(=O)C(O)CCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MMP8 P22894 2/20 0.50
CNR1 P21554 1/20 0.49
KDM4A O75164 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.46
LMNA P02545 4/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
PKM P14618 1/20 0.46
OPRM1 P35372 1/20 0.45

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
SCHEMBL4780592 0.96 CYP2D6 (0.55) KMT2ACYP2D6CYP2C9CYP2C19MMP8
SCHEMBL4779824 0.87 LMNA (0.59) KMT2ACYP2D6CYP2C9CYP2C19MMP8
SCHEMBL4780175 0.83 LMNA (0.57) KMT2ACYP2D6CYP2C9CYP2C19MMP8
SCHEMBL7435848 0.81 CYP2D6 (0.51) KMT2ACYP2D6CYP2C9CYP2C19MMP8
SCHEMBL12295586 0.81 CYP2D6 (0.54) KMT2ACYP2D6CYP2C9CYP2C19MMP8
SCHEMBL117432 0.79 MAPT (0.61) ALDH1A1MAPTLMNAKDM4ECA12
SCHEMBL27742525 0.79 LMNA (0.59) KMT2ACYP2D6CYP2C9CYP2C19MMP8
SCHEMBL9233223 0.78 FAAH (0.49) KMT2AALDH1A1LMNACA12CA7
SCHEMBL3780973 0.78 LMNA (0.49) KMT2ACYP2D6CYP2C9CYP2C19MMP8
SCHEMBL4779588 0.78 PLAAT5 (0.72) L3MBTL1LMNA

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-20080319065-A1 Systemic and Intrathecal Effects of a Novel Series of Phospholipase A2 Inhibitors on Hyperalgesia and Spinal Pge2 Release THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-12-25 US disclosed
EP-1937247-A2 SYSTEMIC AND INTRATHECAL EFFECTS OF A NOVEL SERIES OF PHOSPHOLIPASE A2 INHIBITORS ON HYPERALGESIA AND SPINAL PGE2 RELEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-07-02 EP disclosed
WO-2007022443-A2 SYSTEMIC AND INTRATHECAL EFFECTS OF A NOVEL SERIES OF PHOSPHOLIPASE A2 INHIBITORS ON HYPERALGESIA AND SPINAL PGE2 RELEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-02-22 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-20080319065-A1 Systemic and Intrathecal Effects of a Novel Series of Phospholipase A2 Inhibitors on Hyperalgesia and Spinal Pge2 Release PLA2G4A, PLA2G4B, PLA2G2A KMT2A 859/4885CYP2D6 2122/4885CYP2C9 2130/4885

“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.