SCHEMBL818155

SCHEMBL818155

CC(C)(C)[C@H](O)c1cccc(-c2cccc([C@@H](O)C(C)(C)C)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.38
CCR8 P51685 2/20 0.38
IRAK4 Q9NWZ3 2/20 0.35
ADRB1 P08588 1/20 0.35
SCN9A Q15858 10/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
ALPL P05186 1/20 0.31
HSP90AA1 P07900 1/20 0.31
ALPI P09923 1/20 0.31
ALPG P10696 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
CCR5 P51681 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PGK1 P00558 2/20 0.31

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
SCHEMBL13400154 1.00 CCR1 (0.38) CCR1CCR8IRAK4ADRB1SCN9A
SCHEMBL12786233 0.87 MEN1 (0.50) IRAK4SCN9ACNR1CNR2
SCHEMBL2304288 0.87 MEN1 (0.50) IRAK4SCN9ACNR1CNR2
SCHEMBL6650361 0.84 ALDH1A1 (0.56) IRAK4SCN9A
SCHEMBL13400149 0.82 HTT (0.42) CCR1CCR8IRAK4ADRB1SMN1; SMN2
SCHEMBL14124549 0.80 IRAK4 (0.39) IRAK4ADRB1
SCHEMBL6648424 0.80 IRAK4 (0.39) IRAK4ADRB1
SCHEMBL6648617 0.76 SCN9A (0.47) SCN9ASMN1; SMN2
SCHEMBL6673866 0.74 ALDH1A1 (0.44) IRAK4SCN9ACNR1CNR2
SCHEMBL12786394 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906651-B2 Catalytic system of asymmetric reactions in aqueous media; react a silicon enolate and formaldehyde; catalyst obtained by mixing chiral ligands with scandium triflate JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-03-15 US disclosed
US-7906651-B2 Catalytic system of asymmetric reactions in aqueous media; react a silicon enolate and formaldehyde; catalyst obtained by mixing chiral ligands with scandium triflate JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-03-15 US disclosed
US-7541307-B2 Method for manufacturing an optically active hydroxymethylated compound and a catalyst therefore JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-06-02 US disclosed
US-7541307-B2 Method for manufacturing an optically active hydroxymethylated compound and a catalyst therefore JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-06-02 US disclosed
US-20080269496-A1 Method for Producing Optically Active Hydroxymethylated Compounds JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-10-30 US disclosed
US-20080269496-A1 Method for Producing Optically Active Hydroxymethylated Compounds JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-10-30 US disclosed
US-20080139835-A1 Method for Manufacturing an Optically Active Hydroxymethylated Compound and a Catalyst Therefore JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-06-12 US disclosed
US-20080139835-A1 Method for Manufacturing an Optically Active Hydroxymethylated Compound and a Catalyst Therefore JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-06-12 US disclosed
EP-1852412-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE HYDROXYMETHYLATED COMPOUNDS AND CATALYST THEREFOR Japan Science and Technology Agency (JP) 2007-11-07 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 (2 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-20080139835-A1 Method for Manufacturing an Optically Active Hydroxymethylated Compound and a Catalyst Therefore OGFOD1, POF1B, EEF1D CCR1 1966/4885CCR8 2904/4885IRAK4 4506/4885
US-20080269496-A1 Method for Producing Optically Active Hydroxymethylated Compounds TET1, TET3, CYP3A4 CCR1 4624/4885CCR8 4703/4885IRAK4 3943/4885

“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.