SCHEMBL17817138

SCHEMBL17817138

CCCCCCCCCCCCCC(=O)N(C)CCCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.65
ALDH1A1 P00352 2/20 0.52
CNR1 P21554 1/20 0.51
KDM4C Q9H3R0 6/20 0.50
KDM5A P29375 5/20 0.50
PHF8 Q9UPP1 4/20 0.50
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
KDM4A O75164 2/20 0.50
PPARG P37231 3/20 0.48
PPARD Q03181 3/20 0.48
PPARA Q07869 3/20 0.48
TSHR P16473 2/20 0.48
GPR84 Q9NQS5 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
TLR2 O60603 1/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL28178799 1.00 EPHX2 (0.65) EPHX2ALDH1A1CNR1KDM4CKDM5A
SCHEMBL9017477 1.00 EPHX2 (0.65) EPHX2ALDH1A1CNR1KDM4CKDM5A
SCHEMBL19968581 1.00 EPHX2 (0.65) EPHX2ALDH1A1CNR1KDM4CKDM5A
SCHEMBL4925384 1.00 EPHX2 (0.65) EPHX2ALDH1A1CNR1KDM4CKDM5A
SCHEMBL16918405 1.00 EPHX2 (0.65) EPHX2ALDH1A1CNR1KDM4CKDM5A
SCHEMBL15254653 0.98 EPHX2 (0.62) EPHX2ALDH1A1CNR1KDM4CKDM5A
SCHEMBL14558610 0.98 EPHX2 (0.62) EPHX2ALDH1A1CNR1KDM4CKDM5A
SCHEMBL23343387 0.96 EPHX2 (0.70) EPHX2ALDH1A1CNR1KDM4CKDM5A
SCHEMBL8704909 0.96 EPHX2 (0.65) EPHX2ALDH1A1CNR1KDM4CKDM5A
SCHEMBL11775303 0.96 EPHX2 (0.70) EPHX2ALDH1A1CNR1KDM4CKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 EPHX2 882/4885ALDH1A1 999/4885CNR1 60/4885

“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.