SCHEMBL15048635

SCHEMBL15048635

COC(OCc1ccccc1)(C(N)=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.50
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
KCNN4 O15554 3/20 0.42
ALDH1A1 P00352 3/20 0.42
PARP10 Q53GL7 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6880604 0.83 CES1 (0.71) CES1KMT2AKCNN4ALDH1A1NPC1
SCHEMBL1454439 0.83 CES1 (0.63) CES1KMT2AMAPTKCNN4ALDH1A1
SCHEMBL10591841 0.80 ALDH1A1 (0.50) CES1KMT2AALDH1A1NPC1RAB9A
SCHEMBL28836942 0.79 KMT2A (0.43) KMT2AMAPTKCNN4ALDH1A1PARP10
SCHEMBL4234189 0.78 ALDH1A1 (0.44) KMT2AMAPTALDH1A1PARP10NPC1
SCHEMBL8717382 0.77 KMT2A (0.44) KMT2AMAPTKCNN4ALDH1A1PARP10
SCHEMBL10583986 0.77 ALDH1A1 (0.52) CES1KMT2AALDH1A1NPC1RAB9A
SCHEMBL9277098 0.77 CES1 (0.45) CES1KMT2AKCNN4ALDH1A1NPC1
SCHEMBL27540267 0.75 ALDH1A1 (0.42) KMT2AMAPTALDH1A1PARP10NPC1
SCHEMBL14101171 0.72 PTPN1 (0.43) CES1KMT2AMAPTKCNN4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190248887-A1 EXTRACELLULAR TARGETED DRUG CONJUGATES CENTROSE, LLC 2019-08-15 US disclosed
US-20160279248-A1 EXTRACELLULAR TARGETED DRUG CONJUGATES CENTROSE, LLC 2016-09-29 US disclosed
US-9364554-B2 Extracellular targeted drug conjugates CENTROSE LLC (US) 2016-06-14 US disclosed
US-20130336994-A1 EXTRACELLULAR TARGETED DRUG CONJUGATES CENTROSE, LLC (US) 2013-12-19 US disclosed
US-8470980-B2 Extracellular targeted drug conjugates CENTROSE, LLC (US) 2013-06-25 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-20190248887-A1 EXTRACELLULAR TARGETED DRUG CONJUGATES FCGR2A, ENGASE, FCER2 CES1 398/4885KMT2A 2710/4885MAPT 1818/4885
US-20130336994-A1 EXTRACELLULAR TARGETED DRUG CONJUGATES FCGR2A, ENGASE, FCER2 CES1 398/4885KMT2A 2710/4885MAPT 1818/4885
US-20160279248-A1 EXTRACELLULAR TARGETED DRUG CONJUGATES FCGR2A, ENGASE, FCER2 CES1 398/4885KMT2A 2710/4885MAPT 1818/4885

“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.