SCHEMBL4806450

SCHEMBL4806450

COC(=O)C1(C2CCCC2)CCCC1OC(=O)c1cccc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GRM5 P41594 3/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
GPR17 Q13304 1/20 0.37
MAPT P10636 1/20 0.37
PDE5A O76074 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 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
SCHEMBL4805758 0.99 NPC1 (0.45) NPC1RAB9ASMN1; SMN2NPSR1GRM5
SCHEMBL4813857 0.90 NPC1 (0.40) NPC1RAB9ASMN1; SMN2NPSR1GRM5
SCHEMBL4804183 0.89 NPC1 (0.42) NPC1RAB9ASMN1; SMN2NPSR1GRM5
SCHEMBL4815140 0.87 TSHR (0.41) KMT2AMAPTLMNAGAAMEN1
SCHEMBL4810965 0.87 ADRB2 (0.41) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL4811538 0.86 TDP1 (0.43) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL4804786 0.86 LMNA (0.41) KMT2ALMNAGAAMEN1
SCHEMBL4812914 0.86 ADRB2 (0.41) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL4814301 0.85 TDP1 (0.42) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL4806457 0.82 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1

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 NPC1 1423/4885RAB9A 3676/4885SMN1; SMN2 4671/4885

“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.