SCHEMBL6405720

SCHEMBL6405720

CCCC1(OC(=O)c2ccccc2C(=O)O)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 5/20 0.42
TSHR P16473 4/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSK P43235 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
CETP P11597 1/20 0.38
AGTR1 P30556 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL6405723 0.94 ALDH1A1 (0.45) TDP1CYP3A4ALDH1A1TSHRL3MBTL1
SCHEMBL790335 0.92 ALDH1A1 (0.46) TDP1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6399681 0.89 TDP1 (0.44) TDP1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24707014 0.87 TDP1 (0.45) TDP1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL790334 0.86 TSHR (0.47) TDP1CYP3A4ALDH1A1TSHRL3MBTL1
SCHEMBL28155395 0.84 LMNA (0.46) TDP1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6402074 0.82 ALDH1A1 (0.42) TDP1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6400218 0.82 TSHR (0.46) TDP1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4580415 0.82 ALDH1A1 (0.49) TDP1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6404697 0.78 SCN1A (0.51) TDP1CYP3A4CYP2D6CYP2C9CYP2C19

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 TDP1 4374/4885CYP3A4 575/4885CYP2D6 2051/4885

“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.