SCHEMBL27420873

SCHEMBL27420873

CC(C)c1ccc(COc2ccccc2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
MAOB P27338 6/20 0.43
FFAR1 O14842 2/20 0.43
ACACA Q13085 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
SCN9A Q15858 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL15132934 0.81 MAOB (0.59) MAOBNPC1RAB9ASCN9A
SCHEMBL13450401 0.78 MAOB (0.60) HDAC1HDAC6HDAC5MAOBFFAR1
SCHEMBL20665441 0.78 IDO1 (0.39) MAPTPTGS2
SCHEMBL27428301 0.77 MME (0.40) MAOBFFAR1ACACAMRGPRX4NPC1
SCHEMBL27358340 0.77 IDO1 (0.38) MAOBFFAR1ACACAPTGS2
SCHEMBL26581160 0.77 MAOB (0.55) MAOBMRGPRX4NPC1RAB9ASCN9A
SCHEMBL17129304 0.76 DGAT1 (0.40) MAOBFFAR1ACACANPC1RAB9A
SCHEMBL8102862 0.76 NPC1 (0.56) HDAC1HDAC6HDAC5MAOBNPC1
SCHEMBL15472336 0.75 MAOB (0.49) MAOBACACANPC1RAB9ASCN9A
SCHEMBL17644774 0.74 MAOB (0.68) MAOBNPC1RAB9A

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-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 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-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R HDAC1 1432/4885HDAC6 832/4885HDAC5 1964/4885

“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.