SCHEMBL2687485

SCHEMBL2687485

CCC(CC)CCCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 5/20 0.40
TSHR P16473 3/20 0.40
BLM P54132 1/20 0.36
CA2 P00918 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
PTPN1 P18031 1/20 0.31
MEN1 O00255 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 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
SCHEMBL1996516 0.94 LMNA (0.50) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL14808198 0.92 LMNA (0.65) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL3972497 0.91 LMNA (0.48) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL3964955 0.91 LMNA (0.48) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL9058714 0.87 ALDH1A1 (0.50) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL9615568 0.86 ALDH1A1 (0.54) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL7594004 0.86 LMNA (0.43) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL20124078 0.84 ALDH1A1 (0.65) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL11689620 0.84 LMNA (0.42) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL17526511 0.84 ALDH1A1 (0.46) LMNAALDH1A1TDP1CYP3A4TSHR

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
CN-116183797-A Method for distinguishing milk with different fat content types 内蒙古伊利实业集团股份有限公司 2023-05-30 CN disclosed
US-9145528-B2 Methods of preparing oil compositions for fuel refining SAPPHIRE ENERGY, INC. (US) 2015-09-29 US disclosed
US-20120116138-A1 METHODS OF PREPARING OIL COMPOSITIONS FOR FUEL REFINING SAPPHIRE ENERGY, INC (US) 2012-05-10 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-20120116138-A1 METHODS OF PREPARING OIL COMPOSITIONS FOR FUEL REFINING FASN, LIPC, ALOX15 LMNA 1655/4885ALDH1A1 1467/4885TDP1 2864/4885

“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.