SCHEMBL4811587

SCHEMBL4811587

COC(=O)C1(Cc2ccc(C)cc2)CCCC1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 6/20 0.40
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
EPHX2 P34913 1/20 0.34
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL4809649 0.90 POLB (0.41) ADAM17RAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL4817042 0.89 ADAM17 (0.45) ADAM17SMN1; SMN2ALDH1A1CYP3A4CYP2C19
SCHEMBL4811198 0.88 TDP1 (0.41) ADAM17RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL4812897 0.87 HCRTR2 (0.33) ADAM17RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL4808768 0.85 ADAM17 (0.41) ADAM17RAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL4815587 0.83 MAPT (0.38) ADAM17RAB9ANPC1MEN1KMT2A
SCHEMBL4808773 0.82 ADAM17 (0.41) ADAM17RAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL4808723 0.82 RAB9A (0.41) RAB9ASMN1; SMN2ALDH1A1NPC1POLB
SCHEMBL4812849 0.81 KDM4E (0.47) ADAM17RAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL4811328 0.79 PTPN2 (0.42) ADAM17RAB9ASMN1; SMN2HPGDALDH1A1

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 2714/4885RAB9A 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.