SCHEMBL4808723

SCHEMBL4808723

COC(=O)C1(Cc2ccc(C)cc2)CCCC1OC(=O)c1cccc(C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GRM5 P41594 6/20 0.38
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
NPC1 O15118 5/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 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
SCHEMBL4811142 0.94 OPRK1 (0.40) RAB9ASMN1; SMN2NPSR1GRM5NPC1
SCHEMBL4810961 0.92 TP53 (0.39) RAB9ASMN1; SMN2NPSR1GRM5ADRB2
SCHEMBL4808768 0.90 ADAM17 (0.41) RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4805688 0.89 ADRB2 (0.40) RAB9ASMN1; SMN2NPSR1ADRB2ADRB1
SCHEMBL4811198 0.89 TDP1 (0.41) RAB9ASMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL4815578 0.87 SMN1; SMN2 (0.42) RAB9ASMN1; SMN2NPSR1ADRB2ADRB1
SCHEMBL4808773 0.86 ADAM17 (0.41) RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4806545 0.86 MEN1 (0.42) RAB9ASMN1; SMN2NPSR1GRM5NPC1
SCHEMBL4805258 0.85 SMN1; SMN2 (0.41) RAB9ASMN1; SMN2NPSR1ADRB2ADRB1
SCHEMBL4811802 0.84 ADRB2 (0.42) RAB9ASMN1; SMN2NPSR1ADRB2ADRB1

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 RAB9A 3676/4885SMN1; SMN2 4671/4885NPSR1 3438/4885

“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.