SCHEMBL4809834

SCHEMBL4809834

CCCC1(C(=O)OCC)CCCC1OC(=O)c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CCR6 P51684 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL4809519 0.94 AKT1 (0.43) AKT1TSHRSMN1; SMN2POLBPKM
SCHEMBL4812533 0.93 AKT1 (0.47) AKT1TSHRLMNAALDH1A1
SCHEMBL4807303 0.92 NPC1 (0.37) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL4807297 0.92 TSHR (0.40) TSHRSMN1; SMN2CCR6MEN1KMT2A
SCHEMBL4809288 0.92 AKT1 (0.48) AKT1TSHRLMNAALDH1A1
SCHEMBL4817244 0.92 ALDH1A1 (0.40) AKT1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL4814334 0.89 LMNA (0.44) MEN1KMT2APOLBPKMLMNA
SCHEMBL4811211 0.89 ADRB2 (0.37) AKT1TSHRSMN1; SMN2CCR6POLB
SCHEMBL4810445 0.87 ADRB2 (0.38) TSHRSMN1; SMN2CCR6MEN1KMT2A
SCHEMBL4813521 0.87 KDM4E (0.44) TSHRSMN1; SMN2MEN1KMT2APOLB

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 AKT1 1995/4885TSHR 4305/4885SMN1; 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.