SCHEMBL26800409

SCHEMBL26800409

CC(C)(C)[C@H](N)Cc1ccc(O)c(O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 10/20 0.63
RECQL P46063 9/20 0.63
KDM4E B2RXH2 8/20 0.63
TDP1 Q9NUW8 8/20 0.63
ALOX12 P18054 6/20 0.63
HSD17B10 Q99714 6/20 0.63
MAPT P10636 6/20 0.63
HIF1A Q16665 5/20 0.63
KMT2A Q03164 4/20 0.63
ALDH1A1 P00352 4/20 0.63
MTOR P42345 4/20 0.63
MEN1 O00255 3/20 0.63
CYP3A4 P08684 3/20 0.63
HPGD P15428 3/20 0.63
TP53 P04637 3/20 0.63
MAPK1 P28482 3/20 0.63
USP2 O75604 3/20 0.63
PTGS2 P35354 3/20 0.63
POLB P06746 3/20 0.63
BLM P54132 3/20 0.63

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
SCHEMBL11053003 0.81 PLA2G1B (0.55) ALOX15RECQLKDM4ETDP1ALOX12
SCHEMBL26798590 0.79 ALOX15 (0.71) ALOX15RECQLKDM4ETDP1ALOX12
SCHEMBL19342843 0.79 ALOX15 (0.71) ALOX15RECQLKDM4ETDP1ALOX12
SCHEMBL2562361 0.79 ALOX15 (0.70) ALOX15RECQLKDM4ETDP1ALOX12
SCHEMBL9905877 0.79 TAAR1 (0.61) BLMESR1SLC6A2OPRK1SLC7A5
SCHEMBL13660697 0.79 ALOX15 (0.70) ALOX15RECQLKDM4ETDP1ALOX12
SCHEMBL29379558 0.79 ALOX15 (0.70) ALOX15RECQLKDM4ETDP1ALOX12
SCHEMBL633687 0.79 ALOX15 (0.70) ALOX15RECQLKDM4ETDP1ALOX12
SCHEMBL17244102 0.78 PLA2G1B (0.65) ALOX15RECQLKDM4ETDP1ALOX12
Masoprocol SCHEMBL3818 0.78 ALOX15 (1.00) ALOX15RECQLKDM4ETDP1ALOX12

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-20230348506-A1 MACROCYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF VECTIVBIO COMET AG, F/K/A COMET THERAPEUTICS, INC. (CH) 2023-11-02 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-20230348506-A1 MACROCYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF VNN1, VKORC1, VKORC1L1 ALOX15 2064/4885RECQL 216/4885KDM4E 4312/4885

“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.