SCHEMBL21906534

SCHEMBL21906534

COC(=O)Cc1cccc(CCl)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 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
Hydrochloric Acid SCHEMBL20975356 0.98 KDM4E (0.43) SMN1; SMN2HPGDNPC1TP53POLB
SCHEMBL15752593 0.84 NPSR1 (0.44) SMN1; SMN2HPGDNPC1TP53POLB
SCHEMBL15725241 0.83 NPSR1 (0.43) SMN1; SMN2HPGDNPC1TP53POLB
SCHEMBL364570 0.83 SMN1; SMN2 (0.47) SMN1; SMN2HPGDNPC1TP53POLB
SCHEMBL10381880 0.81 MEN1 (0.52) SMN1; SMN2HPGDNPC1TP53POLB
SCHEMBL15709754 0.79 PSMB5 (0.44) SMN1; SMN2HPGDNPC1TP53POLB
SCHEMBL30106103 0.79 ALDH1A1 (0.41) SMN1; SMN2HPGDNPC1TP53POLB
SCHEMBL3924027 0.79 ALDH1A1 (0.41) SMN1; SMN2HPGDNPC1TP53POLB
SCHEMBL15709960 0.79 ALDH1A1 (0.41) SMN1; SMN2HPGDNPC1TP53POLB
SCHEMBL27860588 0.78 AKR1B1 (0.44) SMN1; SMN2NPSR1KDM4EMAPTHSD17B10

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-10981912-B2 Macrocyclic ligands with picolinate group(s), complexes thereof and also medical uses thereof GUERBET (FR) 2021-04-20 US disclosed
US-20200123155-A1 MACROCYCLIC LIGANDS WITH PICOLINATE GROUP(S), COMPLEXES THEREOF AND ALSO MEDICAL USES THEREOF UNIVERSITE DE BRETAGNE OCCIDENTALE (FR) 2020-04-23 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-10981912-B2 Macrocyclic ligands with picolinate group(s), complexes thereof and also medical uses thereof PYGL, PPIG, PPIB SMN1; SMN2 3862/4885HPGD 675/4885NPC1 163/4885
US-20200123155-A1 MACROCYCLIC LIGANDS WITH PICOLINATE GROUP(S), COMPLEXES THEREOF AND ALSO MEDICAL USES THEREOF PYGL, PPIG, PPIB SMN1; SMN2 3862/4885HPGD 675/4885NPC1 163/4885

“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.