SCHEMBL4810480

SCHEMBL4810480

Cc1ccc(C(=O)OC2CCCC2(C(=O)OCC(C)C)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 2/20 0.39
ATG4B Q9Y4P1 2/20 0.39
HTR2C P28335 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SLC22A1 O15245 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 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
SCHEMBL4810621 0.96 HTR2C (0.39) PLA2G1BATG4BHTR2CNPC1RAB9A
SCHEMBL4806749 0.95 ADRB2 (0.39) PLA2G1BATG4BHTR2CNPC1RAB9A
SCHEMBL4812372 0.94 CHRNA7 (0.40) PLA2G1BATG4BNPC1RAB9AADRB2
SCHEMBL4813759 0.89 SLC22A1 (0.46) HTR2CMEN1KMT2ACYP1A2CYP3A4
SCHEMBL4810099 0.89 ADRB2 (0.41) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL4815386 0.87 ADRB2 (0.41) HTR2CNPC1RAB9AADRB2ADRB1
SCHEMBL4809391 0.86 TSHR (0.39) HTR2CADRB2ADRB1ADRB3MEN1
SCHEMBL4808284 0.86 HTR2C (0.46) PLA2G1BATG4BHTR2CMEN1KMT2A
SCHEMBL4817323 0.86 ALDH1A1 (0.40) HTR2CADRB2ADRB1ADRB3MEN1
SCHEMBL4815215 0.85 SLC22A1 (0.43) HTR2CNPC1RAB9AMEN1KMT2A

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-7388103-B2 Cyclopentane carboxylate compounds, process and intermediates for preparing the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-06-17 US disclosed
US-20060094843-A1 Cyclopentane carboxylate compounds, process and intermediates for preparing the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2006-05-04 US disclosed
WO-2006045246-A1 CYCLOPENTANE CARBOXYLATE COMPOUNDS, PROCESS AND INTERMEDIATES FOR PREPARING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2006-05-04 WO 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-20060094843-A1 Cyclopentane carboxylate compounds, process and intermediates for preparing the same and use thereof C5, C1S, AKR1C3 PLA2G1B 368/4885ATG4B 1825/4885HTR2C 3278/4885

“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.