SCHEMBL16503434

SCHEMBL16503434

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

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ HPGD P15428 1/20 0.44
▸ PTPRB P23467 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ THRB P10828 3/20 0.43
▸ THRA P10827 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ MMP2 P08253 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 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
SCHEMBL12207085 0.82 MCL1 (0.62) MCL1L3MBTL1HPGDTHRBTHRA
SCHEMBL18480013 0.81 RAB9A (0.53) MCL1L3MBTL1THRBLMNA
SCHEMBL2381680 0.81 MCL1 (0.44) MCL1L3MBTL1HPGDPTPRBHSD17B10
SCHEMBL15464819 0.81 MCL1 (0.70) MCL1L3MBTL1HPGDPTPRBHSD17B10
SCHEMBL2380557 0.79 THRB (0.43) MCL1L3MBTL1HPGDPTPRBHSD17B10
SCHEMBL2380761 0.78 ALDH1A1 (0.51) HPGDPTPRBHSD17B10THRBTHRA
SCHEMBL3731595 0.78 L3MBTL1 (0.67) MCL1L3MBTL1HPGDTSHRMMP2
SCHEMBL3723832 0.77 L3MBTL1 (0.66) MCL1L3MBTL1HPGDTSHRMMP2
SCHEMBL4072199 0.76 MCL1 (0.62) MCL1L3MBTL1HPGDPTPRBHSD17B10
SCHEMBL16480582 0.74 MCL1 (0.69) MCL1L3MBTL1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110313144-A1 iRNA Agents Targeting CCR5 Expressing Cells And Uses Thereof ALNYLAM PHARMACEUTICALS, INC. 2011-12-22 — — 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-20110313144-A1 iRNA Agents Targeting CCR5 Expressing Cells And Uses Thereof CCR5, CXCR3, CCR2 MCL1 653/4885L3MBTL1 1967/4885HPGD 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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