SCHEMBL6726501

SCHEMBL6726501

CC(C)C(=O)c1ccc([18F])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
KDM4E B2RXH2 1/20 0.52
DBH P09172 1/20 0.52
GAA P10253 1/20 0.52
RECQL P46063 1/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
BCL2L1 Q07817 1/20 0.46
BAD Q92934 1/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
PTPN1 P18031 1/20 0.45
RAB9A P51151 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HTR7 P34969 1/20 0.44
MAPT P10636 1/20 0.44
LTA4H P09960 1/20 0.43

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
SCHEMBL204960 1.00 CES2 (0.54) CES2CES1KDM4EDBHGAA
SCHEMBL19130713 0.88 HPGD (0.48) CES2CES1KDM4EDBHGAA
SCHEMBL10121174 0.87 KDM4E (0.62) CES2CES1KDM4EDBHGAA
SCHEMBL4869727 0.84 CES2 (0.52) CES2CES1CA1CA2BCL2L1
SCHEMBL2448326 0.84 CES2 (0.52) CES2CES1CA1CA2BCL2L1
SCHEMBL29077329 0.84 CES2 (0.52) CES2CES1CA1CA2BCL2L1
SCHEMBL526237 0.83 CES2 (0.46) CES2CES1CA1CA2BCL2L1
SCHEMBL25214258 0.82 CES2 (0.50) CES2CES1CA1CA2BCL2L1
SCHEMBL1938267 0.82 CES2 (0.50) CES2CES1CA1CA2BCL2L1
SCHEMBL3852076 0.82 CES2 (0.50) CES2CES1CA1CA2BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295092-A1 18F - TAGGED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) AND THEIR USE AS IMAGING AGENTS FOR PROSTATE CANCER DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2023-09-21 US disclosed
US-20120121509-A1 VITAL FLUOROCHROME CONJUGATES AND METHODS OF USE THE GENERAL HOSPITAL CORPORATION (US) 2012-05-17 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-20120121509-A1 VITAL FLUOROCHROME CONJUGATES AND METHODS OF USE CASP3, CASP7, CD47 CES2 703/4885CES1 759/4885KDM4E 3673/4885
US-20230295092-A1 18F - TAGGED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) AND THEIR USE AS IMAGING AGENTS FOR PROSTATE CANCER KLK3, FOLH1, MPI CES2 4307/4885CES1 2875/4885KDM4E 2235/4885

“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.