SCHEMBL1828149

SCHEMBL1828149

C[C@@H](O)[C@]1(c2ccc(F)cc2F)CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
BACE1 P56817 6/20 0.36
CTSD P07339 2/20 0.36
CNR1 P21554 3/20 0.35
GPR35 Q9HC97 1/20 0.35
BACE2 Q9Y5Z0 3/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7488273 1.00 HCAR3 (0.38) HCAR3HCAR2ALDH1A1MAPTTDP1
SCHEMBL30485088 1.00 HCAR3 (0.38) HCAR3HCAR2ALDH1A1MAPTTDP1
SCHEMBL2567128 1.00 HCAR3 (0.38) HCAR3HCAR2ALDH1A1MAPTTDP1
SCHEMBL7684896 1.00 HCAR3 (0.38) HCAR3HCAR2ALDH1A1MAPTTDP1
SCHEMBL939090 1.00 HCAR3 (0.38) HCAR3HCAR2ALDH1A1MAPTTDP1
SCHEMBL8718596 1.00 HCAR3 (0.38) HCAR3HCAR2ALDH1A1MAPTTDP1
SCHEMBL30485107 1.00 HCAR3 (0.38) HCAR3HCAR2ALDH1A1MAPTTDP1
SCHEMBL1828008 1.00 HCAR3 (0.38) HCAR3HCAR2ALDH1A1MAPTTDP1
SCHEMBL20970623 1.00 HCAR3 (0.38) HCAR3HCAR2ALDH1A1MAPTTDP1
SCHEMBL19806240 0.87 BACE1 (0.37) HCAR3HCAR2ALDH1A1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1647551-B1 OPTICALLY ACTIVE HALOHYDRIN DERIVATIVE AND PROCESS FOR PRODUCING OPTICALLY ACTIVE EPOXY ALCOHOL DERIVATIVE FROM THE SAME KANEKA CORP (JP) 2011-05-04 EP disclosed
US-7582781-B2 epoxidation to produce 1,2-Epoxy-2-(2,4-difluorophenyl)butan-3-ol intermediate for pharmaceutical drugs, a triazole antifungal agent KANEKA CORPORATION (JP) 2009-09-01 US disclosed
US-20060155136-A1 Optically active halohydrin derivative and process for producing optically active epoxy alcohol derivative from the same KANEKA CORPORATION (JP) 2006-07-13 US disclosed
EP-1647551-A1 OPTICALLY ACTIVE HALOHYDRIN DERIVATIVE AND PROCESS FOR PRODUCING OPTICALLY ACTIVE EPOXY ALCOHOL DERIVATIVE FROM THE SAME KANEKA CORPORATION (JP) 2006-04-19 EP disclosed
US-6362206-B1 FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-26 US disclosed
EP-1071640-B1 ASYMMETRIC SYNTHESIS OF 2-ARYL-1-SUBSTITUTED BUTAN-2,3-DIOLS NAEJA PHARMACEUTICAL INC (CA) 2002-03-13 EP disclosed
US-6133485-A Asymmetric synthesis of 2-(2,4-difluorophenyl)-1-heterocycl-1-yl butan-2,3-diols SYNPHAR LABORATORIES, INC. (CA) 2000-10-17 US disclosed
US-6034248-A FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 US disclosed
EP-0567982-B1 Azole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-01 EP disclosed
EP-0657449-B1 Azole compounds, their production and use as antifungal agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-04-08 EP disclosed
US-5545652-A Triazole and imidazole compounds and their use as antifungal therapeutic agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-13 US disclosed
US-5495024-A FUNGICIDES TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 1996-02-27 US disclosed
US-5466820-A Fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-11-14 US disclosed
EP-0657449-A1 Azole compounds, their production and use as antifungal agents Takeda Chemical Industries, Ltd. (JP) 1995-06-14 EP disclosed
US-5371101-A Fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
US-5371100-A An 1-(1H-1,2,4-triazolyl) or 1-(1H-imidazolyl)-2-phenyl-3-(1H or 2H-tetrazolyl)-2-alkylol or alkyloxyacetyl fungicides for fungal infections TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
EP-0567982-A1 Azole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1993-11-03 EP disclosed
EP-0548553-A1 Optically active azole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1993-06-30 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-20060155136-A1 Optically active halohydrin derivative and process for producing optically active epoxy alcohol derivative from the same TALDO1, CYP51A1, ERG28 HCAR3 172/4885HCAR2 262/4885ALDH1A1 75/4885

“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.