SCHEMBL6400218

SCHEMBL6400218

CCC1(OC(=O)c2ccccc2C(=O)OC2(CC)CCCCC2)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.46
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.39
HDAC4 P56524 1/20 0.39
CETP P11597 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
THRB P10828 1/20 0.37
HCN1 O60741 1/20 0.37
HCN4 Q9Y3Q4 1/20 0.37
AKR1C1 Q04828 1/20 0.37
POLB P06746 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 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
SCHEMBL6399681 0.94 TDP1 (0.44) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL24707014 0.92 TDP1 (0.45) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL27006191 0.89 LMNA (0.49) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL6405723 0.87 ALDH1A1 (0.45) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL21891527 0.87 P2RX4 (0.38) TSHRALDH1A1TP53LMNACETP
SCHEMBL1900001 0.86 ALDH1A1 (0.36) TSHRALDH1A1CYP3A4HDAC4CETP
SCHEMBL9618428 0.85 LMNA (0.45) TSHRALDH1A1TDP1CYP3A4MAPK1
SCHEMBL790334 0.84 TSHR (0.47) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL1902158 0.84 CYP3A4 (0.36) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL3671321 0.83 LMNA (0.46) TSHRALDH1A1TDP1CYP3A4MAPK1

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
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
EP-0029595-A1 An improved high solids coating composition of a low molecular weight glycidyl acrylic polymer and an alkylated melamine cross-linking agent, and a substrate coated therewith E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-03 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 TSHR 3173/4885ALDH1A1 3078/4885TDP1 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.