SCHEMBL4817586

SCHEMBL4817586

COC(=O)C1(Cc2ccccc2)CCCC1OC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CHRNA7 P36544 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
TACR1 P25103 1/20 0.39
TACR3 P29371 1/20 0.39

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
SCHEMBL4808773 0.93 ADAM17 (0.41) ADAM17TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL4808768 0.93 ADAM17 (0.41) ADAM17TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL4811142 0.90 OPRK1 (0.40) ADAM17SMN1; SMN2
SCHEMBL4807371 0.90 KDM4E (0.46) ADAM17ALDH1A1SMN1; SMN2CHRNA7
SCHEMBL4810012 0.88 CHRNA7 (0.43) TSHRALDH1A1SMN1; SMN2CHRNA7
SCHEMBL4817042 0.88 ADAM17 (0.45) ADAM17TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL4816473 0.88 TSHR (0.41) TSHRCHRNA7HTR3EHTR3BHTR3A
SCHEMBL4809852 0.88 TRPM8 (0.38) TSHRALDH1A1CHRNA7HTR3EHTR3B
SCHEMBL4811198 0.87 TDP1 (0.41) ADAM17ALDH1A1SMN1; SMN2
SCHEMBL4813131 0.86 BCHE (0.43) ADAM17ALDH1A1SMN1; SMN2TACR1TACR3

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 ADAM17 2714/4885TSHR 4305/4885ALDH1A1 71/4885

“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.