SCHEMBL18960980

SCHEMBL18960980

CCCCCCC(=O)ON1C(=O)C=CC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.47
PTGS1 P23219 3/20 0.46
PTGS2 P35354 3/20 0.46
MGLL Q99685 2/20 0.46
FAAH O00519 1/20 0.46
LMNA P02545 2/20 0.44
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PAM P19021 2/20 0.43
POLM Q9NP87 1/20 0.43
POLK Q9UBT6 1/20 0.43
POLL Q9UGP5 1/20 0.43
POLH Q9Y253 1/20 0.43
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
NLRP3 Q96P20 1/20 0.42
TSHR P16473 1/20 0.41
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
DNM1 Q05193 1/20 0.40

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
SCHEMBL19067107 1.00 DGKA (0.47) DGKAPTGS1PTGS2MGLLFAAH
SCHEMBL2223792 1.00 DGKA (0.47) DGKAPTGS1PTGS2MGLLFAAH
SCHEMBL4812972 1.00 DGKA (0.47) DGKAPTGS1PTGS2MGLLFAAH
SCHEMBL209163 0.98 DGKA (0.44) DGKAPTGS1PTGS2MGLLFAAH
SCHEMBL28168374 0.93 ALDH1A1 (0.42) DGKAPTGS1PTGS2MGLLFAAH
SCHEMBL13356960 0.91 PTGS1 (0.44) DGKAPTGS1PTGS2MGLLFAAH
SCHEMBL714989 0.85 ALDH1A1 (0.44) PTGS1PTGS2MGLLFAAHLMNA
SCHEMBL28390950 0.85 ALDH1A1 (0.38) PTGS1PTGS2MGLLFAAHLMNA
SCHEMBL26256263 0.84 GAA (0.49) FAAHKMT2A
SCHEMBL31121828 0.82 PTGS1 (0.53) PTGS1PTGS2LMNAMAPTTSHR

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-11524969-B2 Pyrrolobenzodiazepines and conjugates thereof as antitumour agents MEDIMMUNE LIMITED (GB) 2022-12-13 US disclosed
US-20210079023-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF AS ANTITUMOUR AGENTS MEDIMMUNE LIMITED (GB) 2021-03-18 US disclosed
WO-2017100714-A1 CELL PENETRATING CYANINE-COUPLED ANTIBODIES CITY OF HOPE (US) 2017-06-15 WO 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-11524969-B2 Pyrrolobenzodiazepines and conjugates thereof as antitumour agents PBRM1, HDAC6, NPM1 DGKA 3941/4885PTGS1 3824/4885PTGS2 3582/4885
US-20210079023-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF AS ANTITUMOUR AGENTS PBRM1, HDAC6, NPM1 DGKA 3941/4885PTGS1 3824/4885PTGS2 3582/4885

“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.