SCHEMBL6405723

SCHEMBL6405723

CCCC1(OC(=O)c2ccccc2C(=O)OC2(CCC)CCCCC2)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TSHR P16473 7/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP3A4 P08684 3/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
CETP P11597 3/20 0.41
LMNA P02545 1/20 0.41
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSK P43235 2/20 0.39
THRB P10828 1/20 0.38
POLB P06746 1/20 0.38
HDAC4 P56524 1/20 0.37
CA2 P00918 1/20 0.36
HCN1 O60741 1/20 0.36
HCN4 Q9Y3Q4 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
SCHEMBL6405720 0.94 TDP1 (0.42) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL790334 0.91 TSHR (0.47) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6400218 0.87 TSHR (0.46) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL28155395 0.86 LMNA (0.46) TSHRTDP1CYP3A4MAPK1CETP
SCHEMBL790335 0.86 ALDH1A1 (0.46) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6399681 0.82 TDP1 (0.44) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL24707014 0.80 TDP1 (0.45) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6402078 0.80 TSHR (0.46) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4580413 0.78 CTSK (0.49) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL27972253 0.78 CTSK (0.44) TDP1CYP3A4CETPLMNACTSL

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-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
EP-1227078-A1 DICARBOXYLIC DIESTER, PROCESS FOR PRODUCING THE SAME, AND REFRIGERATING MACHINE LUBRICATING OIL COMPRISING THE ESTER NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-31 EP 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 3173/4885TDP1 4374/4885

“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.