SCHEMBL20032175

SCHEMBL20032175

O=C(CCCCc1ccccc1)COC(=O)CCCC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.49
EPHX1 P07099 2/20 0.49
MGLL Q99685 3/20 0.47
NAAA Q02083 1/20 0.45
EPHX2 P34913 1/20 0.44
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 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
SCHEMBL10636211 0.82 EPHX2 (0.53) KLK7EPHX1NAAAEPHX2MEN1
SCHEMBL16755635 0.81 TDP1 (0.51) KLK7EPHX1MGLLNAAAEPHX2
SCHEMBL25476011 0.79 MAPT (0.48) KLK7EPHX1MEN1KMT2AL3MBTL1
SCHEMBL8107320 0.79 SIGMAR1 (0.44) KLK7EPHX2MEN1RAB9AKMT2A
Phenylbutanoic Acid SCHEMBL10636202 0.78 HDAC3 (0.64) EPHX1EPHX2MEN1RAB9AKMT2A
SCHEMBL6651781 0.77 EPHX1 (0.58) EPHX1EPHX2RAB9A
SCHEMBL8116326 0.77 SIGMAR1 (0.48) KLK7EPHX1EPHX2MEN1RAB9A
SCHEMBL16921289 0.76 EPHX1 (0.49) KLK7EPHX1NAAAEPHX2MEN1
SCHEMBL6049169 0.76 SIGMAR1 (0.61) EPHX1NAAAEPHX2MEN1KMT2A
SCHEMBL11171348 0.75 EPHX1 (0.56) EPHX1EPHX2RAB9A

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-20180094029-A1 METHODS OF TREATING OPHTHALMIC DISEASES USING NPR-B AGONISTS ALCON RESEARCH, LTD. 2018-04-05 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-20180094029-A1 METHODS OF TREATING OPHTHALMIC DISEASES USING NPR-B AGONISTS NPR1, EDNRB, NPR3 KLK7 2616/4885EPHX1 2710/4885MGLL 1641/4885

“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.