SCHEMBL27103147

SCHEMBL27103147

CC(=O)/C=C/c1ccc([N+](=O)[O-])cc1OCCCC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
MAPT P10636 9/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TYR P14679 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
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
SCHEMBL31305107 0.88 KMT2A (0.41) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL30597624 0.84 MAPT (0.44) RAB9AMAPTMEN1KMT2ALMNA
SCHEMBL27072574 0.84 MAPT (0.44) RAB9AMAPTMEN1KMT2ALMNA
SCHEMBL25412944 0.80 MAPT (0.47) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL7973046 0.79 MAPT (0.43) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL7518552 0.78 MAPT (0.46) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL7429642 0.78 MAPT (0.42) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL1531359 0.76 TYR (0.59) MAPTALDH1A1MEN1KMT2ATYR
SCHEMBL1531361 0.76 TYR (0.59) MAPTALDH1A1MEN1KMT2ATYR
SCHEMBL30768072 0.71 RAB9A (0.39) RAB9AMAPTALDH1A1CYP1A2CYP3A4

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-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 US disclosed
US-20240067640-A1 PHENYL MALEIMIDE LINKER AGENTS FIREFLY BIO, INC. 2024-02-29 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-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R RAB9A 2274/4885MAPT 3713/4885ALDH1A1 3778/4885
US-20240067640-A1 PHENYL MALEIMIDE LINKER AGENTS TPX2, H1-4, MAPT RAB9A 3474/4885MAPT 3/4885ALDH1A1 4502/4885

“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.