SCHEMBL22733859

SCHEMBL22733859

CCN(CC1OCCO1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CA14 Q9ULX7 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ASGR1 P07306 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
NAMPT P43490 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CTSK P43235 1/20 0.31
HCRTR2 O43614 1/20 0.30

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
SCHEMBL4915454 0.81 KMT2A (0.41) ALDH1A1LMNAMEN1KMT2A
SCHEMBL4915463 0.81 KMT2A (0.41) ALDH1A1LMNAMEN1KMT2A
SCHEMBL16627450 0.80 CTSD (0.32) CTSDCTSLCTSBCTSS
SCHEMBL4669068 0.80 CTSD (0.35) CTSDCTSLCTSBCTSSCA14
SCHEMBL24890720 0.79 CNR2 (0.36) CA14NFKB1NFKB2RELAALDH1A1
SCHEMBL24854873 0.78 ADRB2 (0.36) ASGR1
SCHEMBL1962792 0.78 MEN1 (0.45) CA14NFKB1NFKB2RELALMNA
SCHEMBL17243880 0.76 CTSD (0.31) CTSDCTSLCTSBCTSSCA14
SCHEMBL4780561 0.75 ALOX5 (0.39) CTSSCA14NFKB1NFKB2RELA
SCHEMBL27478366 0.75 NFKB1 (0.36) CA14NFKB1NFKB2RELAASGR1

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-20200384110-A1 BIOCOMPATIBLE PHOTOTHERMAL COMPOSITION FOR TREATMENT OF CANCER AND SKIN DISEASES SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2020-12-10 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-20200384110-A1 BIOCOMPATIBLE PHOTOTHERMAL COMPOSITION FOR TREATMENT OF CANCER AND SKIN DISEASES CUTA, TYR, S100A9 CTSD 1476/4885CTSL 2855/4885CTSB 532/4885

“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.