SCHEMBL4808147

SCHEMBL4808147

COC(=O)C1(Cc2ccccc2)CCCC1O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 6/20 0.47
TACR1 P25103 1/20 0.43
TACR3 P29371 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL18494342 0.86 MAPT (0.41) ADAM17ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL22211307 0.86 ADAM17 (0.42) ADAM17TACR1TACR3SMN1; SMN2
SCHEMBL4807305 0.86 KDM4E (0.51) ADAM17ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL6060766 0.84 HPGD (0.38) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4817042 0.83 ADAM17 (0.45) ADAM17TACR1TACR3ALDH1A1MAPT
SCHEMBL4817586 0.81 ADAM17 (0.43) ADAM17TACR1TACR3ALDH1A1ALOX15
SCHEMBL7442631 0.77 ADAM17 (0.52) ADAM17TACR1TACR3ALDH1A1MAPT
SCHEMBL7442637 0.77 ADAM17 (0.52) ADAM17TACR1TACR3ALDH1A1MAPT
SCHEMBL4813131 0.77 BCHE (0.43) ADAM17TACR1TACR3ALDH1A1MAPT
SCHEMBL4808773 0.77 ADAM17 (0.41) ADAM17TACR1TACR3ALDH1A1ALOX15

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 2714/4885TACR1 1258/4885TACR3 1046/4885

“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.