SCHEMBL3411784

SCHEMBL3411784

CC1=C(CCC(C)CCCC(C)CC(=O)O)C(C)(C)CCC1O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.32
BHMT Q93088 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PSEN1 P49768 2/20 0.30
PTPN1 P18031 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
SCHEMBL3414622 0.79 RARB (0.41) MAPTALDH1A1
SCHEMBL1717831 0.78 TRPA1 (0.41) POLBBHMTFNTAFNTBPSEN1
SCHEMBL8776387 0.72 RARB (0.44) MAPTALDH1A1
SCHEMBL15082353 0.68 RARB (0.41) MAPTALDH1A1
SCHEMBL14360558 0.67 BHMT (0.48) BHMT
SCHEMBL16389606 0.66 MAPT (0.35) MAPTPTPN1
Phytanic Acid SCHEMBL5270871 0.64 BLM (0.63) BHMTPTPN1
SCHEMBL2353062 0.64 BLM (0.63) BHMTPTPN1
SCHEMBL2356998 0.64 BLM (0.63) BHMTPTPN1
Phytanic Acid SCHEMBL61162 0.64 BLM (0.63) BHMTPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420610-B2 Polyunsaturated compounds, method for preparing same and compositions containing the same PIERRE FABRE DERMO-COSMETIQUE (FR) 2013-04-16 US disclosed
US-20100168045-A1 Novel Polyunsaturated Compounds, Method for Preparing Same and Compositions Containing the Same PIERRE FABRE DERMO-COSMETIQUE (FR) 2010-07-01 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-20100168045-A1 Novel Polyunsaturated Compounds, Method for Preparing Same and Compositions Containing the Same CBR3, CBR1, DECR1 POLB 1745/4885MAPT 4344/4885BHMT 1354/4885

“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.