SCHEMBL6399681

SCHEMBL6399681

CCC1(OC(=O)c2ccccc2C(=O)O)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 5/20 0.43
ALOX15 P16050 1/20 0.41
TSHR P16473 3/20 0.41
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AKR1C1 Q04828 1/20 0.37
SCN1A P35498 2/20 0.36
SCN2A Q99250 2/20 0.36
SCN3A Q9NY46 2/20 0.36
PRCP P42785 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 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
SCHEMBL24707014 0.98 TDP1 (0.45) TDP1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6400218 0.94 TSHR (0.46) TDP1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6405720 0.89 TDP1 (0.42) TDP1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL790335 0.86 ALDH1A1 (0.46) TDP1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6402074 0.85 ALDH1A1 (0.42) TDP1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4580415 0.84 ALDH1A1 (0.49) TDP1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL27006191 0.84 LMNA (0.49) TDP1CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL9618428 0.83 LMNA (0.45) TDP1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6405723 0.82 ALDH1A1 (0.45) TDP1CYP3A4ALDH1A1TSHRCTSL
SCHEMBL3671321 0.81 LMNA (0.46) 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.