SCHEMBL663073

SCHEMBL663073

CCCCc1nc(CCc2ccc(CC)cn2)[nH]c(=O)c1Cc1cc(CCC)c(O)c(CCC)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.39
GPR84 Q9NQS5 1/20 0.35
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
PARP1 P09874 1/20 0.32
KDM4E B2RXH2 2/20 0.32
PKM P14618 1/20 0.32
PPARG P37231 2/20 0.32
PDE9A O76083 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
PDE10A Q9Y233 1/20 0.31
CYP3A4 P08684 1/20 0.31
RXRA P19793 1/20 0.31

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
SCHEMBL661155 0.86 NOS3 (0.33) DHFRNOS3NOS1NOS2PARP1
SCHEMBL661685 0.83 PPARG (0.43) PPARG
SCHEMBL668331 0.82 LMNA (0.31) PARP1PDE9A
SCHEMBL668330 0.82 PPARG (0.41) PPARG
SCHEMBL27771388 0.67 PARP1 (0.46) PARP1ALDH1A1HPGDMAPT
SCHEMBL8595641 0.66 PARP1 (0.45) PARP1ALDH1A1HPGDMAPT
SCHEMBL27771406 0.65 ALDH1A1 (0.44) PARP1ALDH1A1HPGDMAPT
SCHEMBL9237953 0.65 DHODH (0.44) DHFRPARP1
SCHEMBL2619348 0.65 HRH3 (0.56) KDM4EPKMPPARGALDH1A1MAPT
SCHEMBL661904 0.64 DPP4 (0.39) DHFRKDM4EMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME KOWA COMPANY, LTD. (JP) 2012-02-23 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-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME PPARA, PPARG, PPARD DHFR 2581/4885GPR84 126/4885NOS3 1654/4885

“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.