SCHEMBL25752745

SCHEMBL25752745

Cc1ccc(OC(=O)C(C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
MAPT P10636 6/20 0.50
KDM4E B2RXH2 4/20 0.50
TSHR P16473 2/20 0.50
GAA P10253 1/20 0.50
CYP3A4 P08684 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
S1PR4 O95977 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL3016187 0.85 ALDH1A1 (0.49) ALDH1A1MAPTKDM4ETSHRGAA
SCHEMBL11225517 0.84 TSHR (0.56) ALDH1A1MAPTKDM4ETSHRGAA
SCHEMBL11316665 0.83 KDM4E (0.57) ALDH1A1MAPTKDM4ETSHRGAA
SCHEMBL28615622 0.83 TSHR (0.55) ALDH1A1MAPTKDM4ETSHRGAA
SCHEMBL11404248 0.81 KDM4E (0.56) ALDH1A1MAPTKDM4ETSHRGAA
SCHEMBL12013078 0.81 TTR (0.50) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL12013081 0.81 ALDH5A1 (0.51) ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL13660659 0.81 ALDH1A1 (0.46) ALDH1A1MAPTGAALMNAL3MBTL1
SCHEMBL8798256 0.81 TSHR (0.56) ALDH1A1MAPTKDM4ETSHRGAA
SCHEMBL11623299 0.80 TSHR (0.51) ALDH1A1MAPTKDM4ETSHRGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827661-B2 Water soluble fluorescent or colored dyes comprising conjugating groups Sony Group Corporation (JP) 2023-11-28 US disclosed
US-11685835-B2 Ultra bright dimeric or polymeric dyes SONY CORPORATION (JP) 2023-06-27 US disclosed
US-20230129481-A1 ULTRA BRIGHT DIMERIC OR POLYMERIC DYES WITH SPACING LINKER GROUPS Sony Group Corporation (JP) 2023-04-27 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-11827661-B2 Water soluble fluorescent or colored dyes comprising conjugating groups CHRM1, CHRM2, H1-0 ALDH1A1 965/4885MAPT 16/4885KDM4E 4730/4885
US-20230129481-A1 ULTRA BRIGHT DIMERIC OR POLYMERIC DYES WITH SPACING LINKER GROUPS IK, MTCL3, RRM1 ALDH1A1 1336/4885MAPT 6/4885KDM4E 3783/4885

“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.