SCHEMBL18100026

SCHEMBL18100026

CC(=O)C1(C(=O)NCCCCCN2C(=O)C=CC2=O)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.44
▸ FAAH O00519 3/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ TLR9 Q9NR96 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ XBP1 P17861 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.44
▸ GPR55 Q9Y2T6 1/20 0.44
▸ PTGS1 P23219 7/20 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
SCHEMBL16834889 0.88 PTGS1 (0.47) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL22220046 0.88 MGLL (0.41) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL23889659 0.84 DRD2 (0.49) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL22698762 0.84 MGLL (0.41) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL16834912 0.83 DRD2 (0.39) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL17813682 0.82 MGLL (0.36) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL16847675 0.82 PTGS1 (0.44) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL19666091 0.80 MGLL (0.37) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL19061723 0.80 MGLL (0.44) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL21695308 0.79 OPRM1 (0.36) MGLLFAAHHSP90AA1TLR9ALDH1A1

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-10017577-B2 Antibodies and immunoconjugates GENENTECH, INC. (US) 2018-07-10 — — US disclosed
US-20170002086-A1 ANTIBODIES AND IMMUNOCONJUGATES GENENTECH, INC. (US) 2017-01-05 — — US disclosed
US-20160279261-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2016-09-29 — — 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 (3 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-20170002086-A1 ANTIBODIES AND IMMUNOCONJUGATES FCGR3B, CD47, FCGR1A MGLL 4149/4885FAAH 3190/4885HSP90AA1 1719/4885
US-10017577-B2 Antibodies and immunoconjugates FCGR3B, CD47, FCGR1A MGLL 4149/4885FAAH 3190/4885HSP90AA1 1719/4885
US-20160279261-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF DNPEP, LNPEP, BCR MGLL 3176/4885FAAH 2891/4885HSP90AA1 850/4885

“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.

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