SCHEMBL6860490

SCHEMBL6860490

CC1(C)CC(O)CC(CO)C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.36
SI P14410 2/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
GBA1 P04062 1/20 0.31
EPHX2 P34913 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
SCHEMBL28530966 0.83 MGAM (0.31) SIMGAMGAA
SCHEMBL12166570 0.82 MGAM (0.31) APLNRSIMGAMGAA
SCHEMBL12350858 0.80 EPHX2 (0.33) SIMGAMGAAEPHX2
SCHEMBL17049037 0.80
SCHEMBL4660385 0.77 EPHX2 (0.43) APLNREPHX2
SCHEMBL3627748 0.77 APLNR (0.39) APLNRSIMGAMGAA
SCHEMBL27647013 0.71 APLNR (0.31) APLNR
SCHEMBL2404479 0.71
SCHEMBL13741606 0.70 APLNR (0.48) APLNRGBA1EPHX2
SCHEMBL1358694 0.69 APLNR (0.39) APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6215031-B1 REDUCING 3-FORMYLCYCLOALKANONE OR 3-FORMYLCYCLOALKENONE;3-HYDROXYMETHYL-5,5-DIMETHYLCYCLOHEXANOL DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-10 US claimed
EP-0895980-A1 3-HYDROXYMETHYLCYCLOALKANOLS AND PROCESS FOR PRODUCING THEM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-02-10 EP claimed
JP-10204012-A None JP disclosed
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
US-6215031-B1 REDUCING 3-FORMYLCYCLOALKANONE OR 3-FORMYLCYCLOALKENONE;3-HYDROXYMETHYL-5,5-DIMETHYLCYCLOHEXANOL DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-10 US disclosed
EP-0895980-A1 3-HYDROXYMETHYLCYCLOALKANOLS AND PROCESS FOR PRODUCING THEM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-02-10 EP disclosed
JP-H10204012-A 3-HYDROXYMETHYL CYCLOALKANOL AND ITS PRODUCTION DAICEL CHEM IND LTD 1998-08-04 JP 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 APLNR 3248/4885SI 4687/4885MGAM 3893/4885

“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.