SCHEMBL17307358

SCHEMBL17307358

CCCCCCCC1(C)CC(C)=CC(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
PTPN1 P18031 5/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
CYP19A1 P11511 2/20 0.33
ACP1 P24666 2/20 0.33
CDC25B P30305 2/20 0.33
AKT1 P31749 2/20 0.32
CPT1A P50416 1/20 0.32
CNR2 P34972 1/20 0.32
MGAT2 Q10469 1/20 0.32

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
SCHEMBL17307356 0.84 MEN1 (0.36) AKT1
SCHEMBL17696764 0.78 SIRT2 (0.45) MAPTPTPN1SIRT2CYP19A1ACP1
SCHEMBL21961902 0.78 SIRT2 (0.45) MAPTPTPN1SIRT2CYP19A1ACP1
SCHEMBL21961906 0.76 SIRT2 (0.42) PTPN1SIRT2CYP19A1ACP1CDC25B
Undecane SCHEMBL8674618 0.68 MAPT (0.59) MAPT
SCHEMBL13647772 0.68 ACHE (0.37) MAPT
SCHEMBL19480582 0.67 POLB (0.36) PTPN1SIRT2ACP1CDC25B
SCHEMBL112728 0.67 SIRT2 (0.53) PTPN1SIRT2ACP1CDC25B
SCHEMBL10186569 0.67 SIRT2 (0.53) PTPN1SIRT2ACP1CDC25B
SCHEMBL663852 0.67 SIRT2 (0.53) PTPN1SIRT2ACP1CDC25B

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-9278899-B2 Method for producing 3,5-dimethyldodecanoic acid; and 4-carboxy-3,5-Dimethyl-3,5-dodecadienoic acid SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-03-08 US disclosed
US-20150344395-A1 METHOD FOR PRODUCING 3,5-DIMETHYLDODECANOIC ACID; AND 4-CARBOXY-3,5-DIMETHYL-3,5-DODECADIENOIC ACID SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-12-03 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-20150344395-A1 METHOD FOR PRODUCING 3,5-DIMETHYLDODECANOIC ACID; AND 4-CARBOXY-3,5-DIMETHYL-3,5-DODECADIENOIC ACID ACMSD, DECR1, HPD MAPT 3803/4885PTPN1 4665/4885SIRT2 3230/4885

“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.