SCHEMBL12418891

SCHEMBL12418891

Cc1ccc2c(c1)OC1=CCC=CC1=C2c1cc(C(=O)N2CCCC2C(=O)ON2C(=O)CCC2=O)ccc1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ ROCK2 O75116 1/20 0.31
▸ KMT2A Q03164 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL13380637 0.91 PDK2 (0.31) PDK2ROCK2
SCHEMBL12508298 0.81 KMT2A (0.31) PDK2KMT2ANPC1RAB9A
SCHEMBL12418894 0.72 FKBP1A (0.36) ALDH1A1PDK2ROCK2KMT2ANPC1
SCHEMBL18526248 0.63 — —
SCHEMBL28278775 0.62 ESR2 (0.44) KMT2A
SCHEMBL30439285 0.59 PARP1 (0.39) ALDH1A1RAB9A
SCHEMBL18856015 0.59 — —
SCHEMBL12418880 0.58 ALDH1A1 (0.37) ALDH1A1KMT2A
SCHEMBL24064991 0.57 CYP3A4 (0.38) —
SCHEMBL17278229 0.57 CYP3A4 (0.38) —

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-20110171736-A1 FLUORESCENT ISOTOPE TAGS AND THEIR METHOD OF USE Life Technologies Corporation (US) 2011-07-14 — — 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-20110171736-A1 FLUORESCENT ISOTOPE TAGS AND THEIR METHOD OF USE SRMS, TMEM14C, HM13 ALDH1A1 3096/4885PDK2 4039/4885ROCK2 2748/4885

“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.

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