SCHEMBL6859528

SCHEMBL6859528

CCC1(CC)C2CC3CC(C2)CC1(C(=O)O)C3

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.34
HSD11B1 P28845 2/20 0.33
EPHX2 P34913 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL6854139 0.85 KMT2A (0.35) KMT2ASMN1; SMN2ALDH1A1HSD11B1EPHX2
SCHEMBL6860355 0.84 KMT2A (0.34) KMT2ASMN1; SMN2ALDH1A1HSD11B1EPHX2
SCHEMBL31084411 0.80 HSD11B1 (0.36) KMT2ASMN1; SMN2ALDH1A1HSD11B1EPHX2
SCHEMBL5248488 0.76 THRB (0.36) ALDH1A1HSD11B1EPHX2THRBCYP2C9
Hydrochloric Acid SCHEMBL27525501 0.75 THRB (0.35) ALDH1A1HSD11B1EPHX2THRBCYP2C9
Bromide SCHEMBL27511892 0.75 THRB (0.35) ALDH1A1HSD11B1EPHX2THRBCYP2C9
SCHEMBL4711516 0.73 THRB (0.34) ALDH1A1HSD11B1EPHX2THRBCYP2C9
SCHEMBL31084441 0.73 MAPK1 (0.36) SMN1; SMN2ALDH1A1HSD11B1EPHX2LMNA
SCHEMBL2053505 0.73 THRB (0.36) KMT2ASMN1; SMN2ALDH1A1MEN1THRB
SCHEMBL4582380 0.72 EPHX2 (0.40) ALDH1A1HSD11B1EPHX2THRBCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1308338-C Phosphorus compound DAICEL CHEM (JP) 2007-04-04 CN disclosed
CN-1224625-C Phosphorus-containing compound DAICEL CHEM (JP) 2005-10-26 CN disclosed
CN-1597686-A Phosphorus compound DAICEL CHEM (JP) 2005-03-23 CN disclosed
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
CN-1383429-A Phosphorus-containing compound DAICEL CHEM (JP) 2002-12-04 CN 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 KMT2A 1756/4885SMN1; SMN2 3216/4885ALDH1A1 3180/4885

“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.