SCHEMBL3702909

SCHEMBL3702909

CC1(C)OB(c2cccc3c2cnn3C2CCCO2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PDE1A P54750 3/20 0.32
▸ PDE1B Q01064 3/20 0.32
▸ PDE1C Q14123 3/20 0.32
▸ CYP4F2 P78329 1/20 0.32
▸ CYP4A11 Q02928 1/20 0.32
▸ JAK2 O60674 3/20 0.31
▸ BTK Q06187 3/20 0.31
▸ CNR1 P21554 2/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ DGAT2 Q96PD7 1/20 0.31

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
SCHEMBL138511 0.97 RXRA (0.37) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL29263972 0.84 ALDH1A1 (0.37) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL21636526 0.83 SCD (0.37) DDB1CRBNPDE1APDE1BPDE1C
SCHEMBL19096200 0.83 RXRA (0.35) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL207111 0.82 RXRA (0.34) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL31190671 0.82 PDE1B (0.36) DDB1CRBNPDE1APDE1BPDE1C
SCHEMBL17588940 0.81 RXRA (0.38) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL26920565 0.81 RXRA (0.38) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL29734718 0.81 RXRA (0.38) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL23043800 0.81 CYP4F2 (0.38) ALDH1A1LMNAPOLBRXRARXRB

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
EP-2411398-B1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-12-17 — — EP disclosed
US-8785651-B2 Method for manufacturing a boronic acid ester compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-22 — — US disclosed
US-20120123122-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND GENENTECH, INC. (US) 2012-05-17 — — 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-20120123122-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND NISCH, BRSK1, BLK ALDH1A1 4174/4885LMNA 4073/4885POLB 2454/4885

“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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