SCHEMBL10100244

SCHEMBL10100244

C=C(C(=O)O)C1CCCN1C(=O)CCCCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
PREP P48147 1/20 0.52
FKBP1A P62942 2/20 0.48
F2 P00734 1/20 0.48
NAAA Q02083 3/20 0.48
FAAH O00519 2/20 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
SCHEMBL8994558 0.88 MEN1 (0.56) MEN1NPC1RAB9AKMT2APREP
SCHEMBL13763519 0.88 MEN1 (0.56) MEN1NPC1RAB9AKMT2APREP
SCHEMBL5742769 0.87 ACE (0.60) MEN1NPC1RAB9AKMT2APREP
SCHEMBL5742774 0.87 ACE (0.60) MEN1NPC1RAB9AKMT2APREP
SCHEMBL12883872 0.84 MEN1 (0.48) MEN1NPC1RAB9AKMT2APREP
SCHEMBL9476280 0.83 FKBP1A (0.58) FKBP1A
SCHEMBL10510787 0.83 ACE (0.58) MEN1NPC1RAB9AKMT2AFKBP1A
SCHEMBL5741652 0.83 MEN1 (0.63) MEN1NPC1RAB9AKMT2A
SCHEMBL7330019 0.83 MEN1 (0.63) MEN1NPC1RAB9AKMT2A
SCHEMBL5741647 0.83 MEN1 (0.63) MEN1NPC1RAB9AKMT2A

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-8710264-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2014-04-29 US disclosed
US-20120041063-A2 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2012-02-16 US disclosed
US-20100280108-A1 Antitumoral Compounds PHARMA MAR, S.A. (ES) 2010-11-04 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 (2 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-20120041063-A2 ANTITUMORAL COMPOUNDS TPD52L2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53 MEN1 191/4885NPC1 3089/4885RAB9A 1554/4885
US-20100280108-A1 Antitumoral Compounds TPD52L2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53 MEN1 191/4885NPC1 3089/4885RAB9A 1554/4885

“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.