SCHEMBL6400441

SCHEMBL6400441

CC(C)CCCCCCCCCCCCCCC(OC(=O)c1ccccc1C(=O)O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
TSHR P16473 3/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
ALOX15 P16050 1/20 0.39
RARB P10826 1/20 0.38
LMNA P02545 1/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
FOLH1 Q04609 1/20 0.36
CA2 P00918 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL6401279 1.00 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EHSD17B10SCN1A
SCHEMBL6404092 1.00 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EHSD17B10SCN1A
SCHEMBL6406070 1.00 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EHSD17B10SCN1A
SCHEMBL6399109 1.00 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EHSD17B10SCN1A
SCHEMBL6398769 1.00 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EHSD17B10SCN1A
SCHEMBL6402306 1.00 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EHSD17B10SCN1A
SCHEMBL6399761 1.00 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EHSD17B10SCN1A
SCHEMBL6400754 1.00 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EHSD17B10SCN1A
SCHEMBL6399695 1.00 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EHSD17B10SCN1A
SCHEMBL6405136 0.99 ALDH1A1 (0.59) ALDH1A1TSHRKDM4EHSD17B10SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038283-A1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL, CO., LTD. (JP) 2005-02-17 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-20050038283-A1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester SCO2, PDHX, DECR2 ALDH1A1 3078/4885TSHR 3173/4885KDM4E 498/4885

“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.