SCHEMBL4806749

SCHEMBL4806749

Cc1ccc(C(=O)OC2CCCC2(C(=O)OCC(C)C)c2ccc(C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 2/20 0.35
HTT P42858 1/20 0.35
HTR2C P28335 1/20 0.35
MAPT P10636 3/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 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
SCHEMBL4810621 0.95 HTR2C (0.39) ADRB2ADRB1ADRB3SCN1ASCN2A
SCHEMBL4810480 0.95 PLA2G1B (0.39) ADRB2ADRB1ADRB3SCN1ASCN2A
SCHEMBL4815386 0.90 ADRB2 (0.41) ADRB2ADRB1ADRB3RAB9AALDH1A1
SCHEMBL4808679 0.89 HTR2C (0.36) ALDH1A1HTR2CMAPTKMT2AOPRM1
SCHEMBL4815535 0.89 OPRM1 (0.43) SCN1ASCN2ASCN3ARAB9AALDH1A1
SCHEMBL4812372 0.88 CHRNA7 (0.40) ADRB2ADRB1ADRB3SCN1ASCN2A
SCHEMBL4809391 0.87 TSHR (0.39) ADRB2ADRB1ADRB3ALDH1A1HTT
SCHEMBL4815711 0.85 TDP1 (0.44) SCN1ASCN2ASCN3APLA2G1BATG4B
SCHEMBL4812291 0.84 ADRB2 (0.40) ADRB2ADRB1ADRB3SCN1ASCN2A
SCHEMBL4816196 0.84 PTPN2 (0.42) ADRB2ADRB1ADRB3SCN1ASCN2A

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 ADRB2 1572/4885ADRB1 1538/4885ADRB3 1177/4885

“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.