SCHEMBL17307352

SCHEMBL17307352

C=C(C)/C(C(=O)O)=C(\C)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LDHA P00338 1/20 0.36
SRR Q9GZT4 1/20 0.36
ALDH1A1 P00352 1/20 0.33
TGFBR1 P36897 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RECQL P46063 1/20 0.31
KDM4E B2RXH2 2/20 0.30
TSHR P16473 1/20 0.30
KDM6B O15054 1/20 0.30
KDM5C P41229 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 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
SCHEMBL7709330 0.85 LDHA (0.44) ALOX15HSD17B10LDHASRRRECQL
SCHEMBL28390206 0.80 LDHA (0.40) ALOX15HSD17B10LDHASRRRECQL
SCHEMBL13785027 0.76 TDP1 (0.44) HSD17B10ALDH1A1TGFBR1TDP1KDM4E
SCHEMBL19480579 0.74 LDHA (0.35) ALOX15HSD17B10LDHASRRKDM4E
SCHEMBL17304364 0.74 LDHA (0.35) ALOX15HSD17B10LDHASRRKDM4E
SCHEMBL6647502 0.73 LDHA (0.57) LDHASRRALDH1A1TDP1KDM4E
SCHEMBL6647501 0.73 LDHA (0.57) LDHASRRALDH1A1TDP1KDM4E
Acetoacetic Acid SCHEMBL6430772 0.72 KDM4E (0.44) ALOX15HSD17B10LDHASRRALDH1A1
SCHEMBL17307316 0.71 TDP1 (0.40) HSD17B10ALDH1A1TDP1
Itaconate SCHEMBL5429101 0.70 ALOX15 (0.62) ALOX15HSD17B10LDHASRRALDH1A1

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
EP-2949642-B1 METHOD FOR PRODUCING 3,5-DIMETHYLDODECANOIC ACID; AND 4-CARBOXY-3,5-DIMETHYL-3,5-DODECADIENOIC ACID SHINETSU CHEMICAL CO (JP) 2017-10-18 EP disclosed
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 ALOX15 31/4885HSD17B10 64/4885LDHA 3249/4885

“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.