SCHEMBL12207085

SCHEMBL12207085

CCOC(=O)c1c(C)cc(OCCC(=O)O)cc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.62
▸ CYP3A4 P08684 3/20 0.51
▸ HPGD P15428 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ TDP1 Q9NUW8 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ THRB P10828 2/20 0.44
▸ THRA P10827 1/20 0.44
▸ NR1H2 P55055 1/20 0.44
▸ NR1H3 Q13133 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41

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
SCHEMBL16503434 0.82 MCL1 (0.68) MCL1HPGDL3MBTL1THRBTHRA
SCHEMBL10362822 0.78 CYP3A4 (0.48) MCL1CYP3A4HPGDL3MBTL1TDP1
SCHEMBL10362685 0.77 CYP3A4 (0.50) CYP3A4HPGDTDP1SMN1; SMN2ALDH1A1
SCHEMBL15464819 0.77 MCL1 (0.70) MCL1HPGDL3MBTL1ALDH1A1MAPT
SCHEMBL10364486 0.77 CYP3A4 (0.47) CYP3A4HPGDTDP1SMN1; SMN2ALDH1A1
SCHEMBL10362997 0.76 CYP3A4 (0.49) CYP3A4HPGDL3MBTL1TDP1SMN1; SMN2
SCHEMBL12587021 0.76 CYP3A4 (0.68) CYP3A4HPGDTDP1SMN1; SMN2ALDH1A1
SCHEMBL22434873 0.76 L3MBTL1 (0.59) MCL1L3MBTL1ALDH1A1
SCHEMBL10363472 0.75 CYP3A4 (0.51) CYP3A4HPGDL3MBTL1TDP1SMN1; SMN2
SCHEMBL28634310 0.75 MCL1 (0.57) MCL1L3MBTL1TDP1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034921-B2 Chemokine receptors (CCR5); double stranded RNA; gene knockout ALNYLAM PHARMACEUTICALS, INC. (US) 2011-10-11 — — US disclosed
US-20080255345-A1 IRNA Agents Targeting CCR5 Expressing Cells And Uses Thereof ALNYLAM PHARMACEUTICALS, INC. 2008-10-16 — — US 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-20080255345-A1 IRNA Agents Targeting CCR5 Expressing Cells And Uses Thereof CCR5, CXCR3, CCR2 MCL1 653/4885CYP3A4 4874/4885HPGD 4004/4885

“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.

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