SCHEMBL6861145

SCHEMBL6861145

CCC12CC3CC(C1)CC(C(=O)Br)(C3)C2(CC)C(=O)Br

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 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
SCHEMBL6860920 0.78 GAA (0.33) PKMALDH1A1GAA
SCHEMBL6859537 0.78 ALDH1A1 (0.33) PKMALDH1A1GAA
SCHEMBL6860355 0.69 KMT2A (0.34) ALDH1A1
SCHEMBL6854367 0.68 EPHX1 (0.33) GAA
SCHEMBL6862698 0.65 TSHR (0.31) GAA
SCHEMBL6854374 0.63 EPHX1 (0.34) ALDH1A1GAA
SCHEMBL6859448 0.60 EPHX2 (0.39) ALDH1A1GAA
SCHEMBL9825935 0.60 GRIN2D (0.34)
SCHEMBL11701745 0.60 GRIN2D (0.34)
SCHEMBL6862687 0.60 GRIN2D (0.34)

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-6794528-B2 HEAT RESISTANCE, FLAME RETARDERS, STABILIZERS; REACTING DIALCOHOL COMPOUND WITH A PHOSPHYL OXYCHLORIDE COMPOUND DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-21 US disclosed
US-20030109736-A1 Phosphorus compound DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-12 US disclosed
EP-1277758-A1 PHOSPHORUS COMPOUND Daicel Chemical Industries, Ltd. (JP) 2003-01-22 EP 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-20030109736-A1 Phosphorus compound NR4A1, POLL, NR0B1 PKM 3308/4885ALDH1A1 3180/4885GAA 4674/4885

“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.