SCHEMBL2167630

SCHEMBL2167630

[KH].c1ccc2c(c1)OCCOCCOCCOCCOc1ccccc1O2

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.81
SMN1; SMN2 Q16637 4/20 0.81
CRHBP P24387 2/20 0.81
CRHR2 Q13324 2/20 0.81
HTT P42858 2/20 0.81
ITGB2 P05107 1/20 0.67
ICAM1 P05362 1/20 0.67
ITGAL P20701 1/20 0.67
GAA P10253 2/20 0.57
KDM4E B2RXH2 3/20 0.49
MAPT P10636 5/20 0.47
BLM P54132 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.38
AHR P35869 1/20 0.37

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
SCHEMBL35680 0.98 LMNA (0.85) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL896445 0.98 LMNA (0.85) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL288378 0.98 LMNA (0.85) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL35802 0.98 LMNA (0.85) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL5030177 0.98 LMNA (0.85) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL35766 0.98 LMNA (0.85) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL1262733 0.98 LMNA (0.85) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL15301625 0.98 LMNA (0.85) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL35510 0.98 LMNA (0.85) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL896371 0.98 LMNA (0.85) LMNASMN1; SMN2CRHBPCRHR2HTT

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-20110179697-A1 Method for Production of Metallocenes Preventing Nitrogen Oxides Emission in Combustion of Fuels in Motors Asiacom Group Investments, Inc. 2011-07-28 US disclosed
WO-2007077485-A2 METHOD FOR PRODUCING METALLOCENES PROPERTY DEVELOPMENT CORPORATION INTERNATIONAL LTD, INC. (US) 2007-07-12 WO disclosed
US-7157592-B1 Ferrocene is produced from a mixture of ferrous chloride, cyclopentadiene anion, diethylamine, and dibenzo-18-crown-6-potassium complex, with further petroleum ether extraction of the prepared product; efficiency PROPERTY DEVELOPMENT CORPORATION INTERNATIONAL LTD., INC. (AZ) 2007-01-02 US 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-20110179697-A1 Method for Production of Metallocenes Preventing Nitrogen Oxides Emission in Combustion of Fuels in Motors SOD1, CYC1, NDUFS8 LMNA 2712/4885SMN1; SMN2 268/4885CRHBP 2453/4885

“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.