SCHEMBL6859537

SCHEMBL6859537

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
PKM P14618 2/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
GAA P10253 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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 0.79 GAA (0.33) ALDH1A1PKMKMT2AMEN1L3MBTL1
SCHEMBL6861145 0.78 PKM (0.31) ALDH1A1PKMGAA
SCHEMBL1072980 0.69 ALDH1A1 (0.36) ALDH1A1PKML3MBTL1GAAPOLB
SCHEMBL6859528 0.68 KMT2A (0.35) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL31084411 0.67 HSD11B1 (0.36) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL160641 0.66 THRB (0.35) ALDH1A1PKMKMT2AMEN1L3MBTL1
SCHEMBL31065066 0.65 THRB (0.34) ALDH1A1PKMKMT2AMEN1L3MBTL1
SCHEMBL31065065 0.65 THRB (0.34) ALDH1A1PKMKMT2AMEN1L3MBTL1
SCHEMBL3096917 0.65 FFAR3 (0.41) ALDH1A1
SCHEMBL702569 0.64 ALDH1A1 (0.33) ALDH1A1PKMKMT2AMEN1L3MBTL1

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 ALDH1A1 3180/4885PKM 3308/4885KMT2A 1756/4885

“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.