SCHEMBL6435607

SCHEMBL6435607

CC(C)(C)C1CC=C(Br)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
CES2 O00748 2/20 0.39
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRNA7 P36544 1/20 0.32
STAT3 P40763 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 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
SCHEMBL8141633 0.78 LMNA (0.39) LMNACES2
SCHEMBL31545085 0.76 LMNA (0.70) LMNACES2MEN1CYP3A4ALOX15
SCHEMBL4440899 0.74 LMNA (0.42) LMNACES2MEN1CYP3A4ALOX15
SCHEMBL13782375 0.74 LMNA (0.42) LMNACES2MEN1CYP3A4ALOX15
SCHEMBL4402841 0.74 LMNA (0.42) LMNACES2MEN1CYP3A4ALOX15
SCHEMBL9706627 0.74 LMNA (0.47) LMNACES2ALDH1A1MEN1CYP3A4
SCHEMBL5698477 0.74 LMNA (0.42) LMNACES2MEN1CYP3A4ALOX15
SCHEMBL13726989 0.74 LMNA (0.42) LMNACES2ALDH1A1TP53HTT
SCHEMBL13985486 0.72 LMNA (0.41) LMNACES2ALDH1A1MEN1CYP3A4
SCHEMBL7792048 0.71 LMNA (0.40) LMNACES2MEN1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012150292-A1 STEREOSELECTIVE SYNTHESIS OF CIS-4-METHYLSPHINGOSINE AND DERIVATIVES THEREOF HUMBOLDT-UNIVERSITÄT ZU BERLIN (DE) 2012-11-08 WO disclosed
WO-2012150292-A1 STEREOSELECTIVE SYNTHESIS OF CIS-4-METHYLSPHINGOSINE AND DERIVATIVES THEREOF HUMBOLDT-UNIVERSITÄT ZU BERLIN (DE) 2012-11-08 WO disclosed
US-6867323-B2 Cross-coupling reaction of organosilicon nucleophiles THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-03-15 US disclosed
US-20020183516-A1 Cross-coupling reaction of organosilicon nucleophiles UNIVERSITY OF ILLINOIS URBANA-CHAMPAIGN 2002-12-05 US disclosed
WO-2001094355-A1 CROSS-COUPLING REACTION OF ORGANOSILICON NUCLEOPHILES BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2001-12-13 WO 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-20020183516-A1 Cross-coupling reaction of organosilicon nucleophiles TST, HPD, PCNA LMNA 4232/4885CES2 3395/4885ALDH1A1 2157/4885

“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.