SCHEMBL24425083

SCHEMBL24425083

CC(C)(C)c1ccc(B(O)O)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MGLL Q99685 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KIF11 P52732 1/20 0.41
CES2 O00748 2/20 0.39
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
ORAI1 Q96D31 1/20 0.36
ORAI2 Q96SN7 1/20 0.36
ORAI3 Q9BRQ5 1/20 0.36
TRPV6 Q9H1D0 1/20 0.36
ACHE P22303 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL496773 0.88 CES2 (0.50) MGLLKIF11CES2ORAI1ORAI2
SCHEMBL29349652 0.88 CES2 (0.50) MGLLKIF11CES2ORAI1ORAI2
SCHEMBL27201659 0.86 ALDH1A1 (0.45) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL13171669 0.77 KIF11 (0.47) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL1670722 0.76 CES2 (0.40) MGLLCES2ORAI1ORAI2ORAI3
SCHEMBL12070606 0.76 ALDH1A1 (0.43) ALDH1A1MGLLHPGDALOX15HSD17B10
SCHEMBL3205095 0.76 SMN1; SMN2 (0.43) MGLLKIF11MEN1MAPTKMT2A
SCHEMBL29951765 0.76 SMN1; SMN2 (0.43) MGLLKIF11MEN1MAPTKMT2A
SCHEMBL24425076 0.76 GABRA1 (0.38) ALDH1A1MGLLHPGDALOX15HSD17B10
SCHEMBL1599382 0.76 ALDH1A1 (0.59) ALDH1A1HPGDALOX15HSD17B10TDP1

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-20220142919-A1 DYNAMIC COVALENTLY LINKED HYDROGELS AS STABILIZATION NETWORK PLATFORMS NANOLY BIOSCIENCE, INC. (US) 2022-05-12 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-20220142919-A1 DYNAMIC COVALENTLY LINKED HYDROGELS AS STABILIZATION NETWORK PLATFORMS HSP90B1, HSP90AB1, HSPA1B ALDH1A1 1291/4885MGLL 1778/4885HPGD 920/4885

“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.