SCHEMBL4815587

SCHEMBL4815587

COC(=O)C1(Cc2ccc(C)cc2)CCCC1OC(=O)c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
ADAM17 P78536 4/20 0.37
BCHE P06276 1/20 0.37
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
P2RX7 Q99572 1/20 0.35
ATM Q13315 2/20 0.34
KCNA3 P22001 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4813131 0.94 BCHE (0.43) MAPTADAM17BCHENPC1RAB9A
SCHEMBL4809403 0.92 KDM4E (0.40) MAPTHTTADAM17NPC1RAB9A
SCHEMBL4814955 0.89 ALDH1A1 (0.38) MAPTHTTADAM17BCHEADRB2
SCHEMBL4808768 0.87 ADAM17 (0.41) ADAM17NPC1RAB9A
SCHEMBL4810121 0.87 NPC1 (0.39) MAPTHTTBCHEADRB2ADRB1
SCHEMBL4811198 0.85 TDP1 (0.41) MAPTHTTADAM17ADRB2ADRB1
SCHEMBL4813521 0.85 KDM4E (0.44) MAPTADAM17BCHENPC1RAB9A
SCHEMBL4808773 0.85 ADAM17 (0.41) ADAM17NPC1RAB9A
SCHEMBL4807303 0.84 NPC1 (0.37) MAPTHTTBCHEADRB2ADRB1
SCHEMBL4811587 0.83 ADAM17 (0.40) ADAM17NPC1RAB9AMEN1KMT2A

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 7 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 claimed
JP-2008517957-A 2008-05-29 JP claimed
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 claimed
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 claimed
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 MAPT 4766/4885HTT 4302/4885ADAM17 2714/4885

“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.