SCHEMBL3420123

SCHEMBL3420123

Cc1cc(C(=O)O)c(OCc2ccccc2)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
DHODH Q02127 5/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 3/20 0.45
LMNA P02545 1/20 0.45
SLC16A3 O15427 1/20 0.44
SRD5A2 P31213 2/20 0.44
PTGER1 P34995 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
FOLH1 Q04609 1/20 0.44
MDH2 P40926 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SRD5A1 P18405 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
SCHEMBL3423830 0.87 KDM4E (0.51) ALDH1A1HSD17B10USP2TSHRLMNA
SCHEMBL3424574 0.83 SPHK2 (0.49) ALDH1A1HSD17B10USP2TSHRHPGD
SCHEMBL13339892 0.82 SPHK2 (0.50) ALDH1A1HSD17B10USP2TSHRHPGD
SCHEMBL2117516 0.78 POLB (0.49) ALDH1A1HSD17B10USP2TSHRPOLB
SCHEMBL5555614 0.77 PDE3B (0.48) ALDH1A1HSD17B10USP2TSHRHPGD
SCHEMBL5277715 0.77 ALDH1A1 (0.43) ALDH1A1HSD17B10USP2TSHRPOLB
SCHEMBL3424162 0.77 MAPT (0.46) ALDH1A1HSD17B10USP2TSHRPOLB
SCHEMBL27678664 0.77 PTGER1 (0.51) HPGDLMNAPTGER1LTB4RLTB4R2
SCHEMBL10591282 0.75 POLB (0.52) ALDH1A1HSD17B10USP2TSHRPOLB
SCHEMBL7216324 0.75 LTA4H (0.40) ALDH1A1HSD17B10USP2TSHRDHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4003959-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER Bayer AS (NO) 2022-06-01 EP disclosed
EP-2816038-B1 HOPO CHELATORS LUMIPHORE INC (US) 2019-11-20 EP disclosed
US-10352938-B2 Macrocyclic HOPO chelators LUMIPHORE, INC. (US) 2019-07-16 US disclosed
US-20160320399-A1 MACROCYCLIC HOPO CHELATORS LUMIPHORE, INC. 2016-11-03 US disclosed
US-9273059-B2 Macrocyclic HOPO chelators LUMIPHORE, INC. (US) 2016-03-01 US disclosed
EP-2816038-A1 Hopo chelators Lumiphore, Inc. (US) 2014-12-24 EP disclosed
EP-2470513-B1 MACROCYCLIC HOPO CHELATORS LUMIPHORE INC (US) 2014-10-08 EP disclosed
US-20120214253-A1 MACROCYCLIC HOPO CHELATORS LUMIPHORE, INC. (US) 2012-08-23 US disclosed
EP-2470513-A1 MACROCYCLIC HOPO CHELATORS Lumiphore, Inc. (US) 2012-07-04 EP disclosed
WO-2011025790-A1 MACROCYCLIC HOPO CHELATORS LUMIPHORE, INC. (US) 2011-03-03 WO disclosed
US-7718781-B2 Hydroxypyridonate and hydroxypyrimidinone chelating agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-05-18 US disclosed
EP-1423399-A4 HYDROXYPYRIDONATE AND HYDROXYPYRIMIDINONE CHELATING AGENTS UNIV CALIFORNIA (US) 2008-05-07 EP disclosed
WO-2007121453-A2 2-HYDROXY-1-OXO 1,2 DIHYDRO ISOQUINOLINE CHELATING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-10-25 WO disclosed
US-6846915-B2 Hydroxypyridonate and hydroxypyrimidinone chelating agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-01-25 US disclosed
US-20050008570-A1 Hydroxypyridonate and hydroxypyrimidinone chelating agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-01-13 US disclosed
EP-1423399-A2 HYDROXYPYRIDONATE AND HYDROXYPYRIMIDINONE CHELATING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-06-02 EP disclosed
US-20030095922-A1 Hydroxypyridonate and hydroxypyrimidinone chelating agents REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-05-22 US disclosed
WO-2003016923-A2 HYDROXYPYRIDONATE AND HYDROXYPYRIMIDINONE CHELATING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-02-27 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 (4 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-20050008570-A1 Hydroxypyridonate and hydroxypyrimidinone chelating agents HAMP, GDI1, MPI ALDH1A1 2521/4885HSD17B10 2407/4885USP2 4038/4885
US-20160320399-A1 MACROCYCLIC HOPO CHELATORS PHPT1, SSB, CD69 ALDH1A1 4846/4885HSD17B10 4148/4885USP2 4239/4885
US-20120214253-A1 MACROCYCLIC HOPO CHELATORS PHPT1, SSB, CD69 ALDH1A1 4846/4885HSD17B10 4148/4885USP2 4239/4885
US-10352938-B2 Macrocyclic HOPO chelators PHPT1, SSB, CD69 ALDH1A1 4846/4885HSD17B10 4148/4885USP2 4239/4885

“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.