SCHEMBL19198564

SCHEMBL19198564

CC(=O)c1ccc2c(c1)CCC(=O)O2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B1 P14061 1/20 0.41
KCNJ1 P48048 1/20 0.40
ALDH2 P05091 1/20 0.40
ALDH3A1 P30838 1/20 0.40
HPGD P15428 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
S100A4 P26447 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL14430960 0.85 ALDH1A1 (0.49) MAPTKDM4EPOLBALDH2ALDH3A1
SCHEMBL12104205 0.83 TSHR (0.49) NPC1RAB9AKDM4EALDH2ALDH3A1
SCHEMBL30726848 0.83 CA12 (0.56) NPC1RAB9AMAPTKDM4EPOLB
SCHEMBL18114087 0.80 ALDH1A1 (0.48) NPC1RAB9AMAPTKDM4EHPGD
SCHEMBL11800462 0.79 NPC1 (0.63) NPC1RAB9AMAPTKDM4EPOLB
SCHEMBL6108822 0.78 KDM4E (0.46) NPC1RAB9AMAPTKDM4EPOLB
SCHEMBL25693777 0.77 NPC1 (0.41) NPC1RAB9AMAPTKDM4EPOLB
SCHEMBL2965162 0.76 PTGS2 (0.42) NPC1MAPTPOLBHSD17B1ALDH2
SCHEMBL102518 0.76 PRKCI (0.62) NPC1RAB9AMAPTKDM4E
SCHEMBL29793780 0.76 PRKCI (0.62) NPC1RAB9AMAPTKDM4E

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-11542492-B2 Ligand-directed covalent modification of protein CELGENE CAR LLC (BM) 2023-01-03 US disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 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-11542492-B2 Ligand-directed covalent modification of protein PTMS, SPR, DNPEP NPC1 4245/4885RAB9A 3853/4885MAPT 2032/4885
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein PTMS, SPR, DNPEP NPC1 4245/4885RAB9A 3853/4885MAPT 2032/4885

“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.