SCHEMBL10161608

SCHEMBL10161608

O=CCC1CCC(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.67
▸ GAA P10253 1/20 0.67
▸ TSHR P16473 1/20 0.64
▸ EPHX1 P07099 1/20 0.57
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ DPP4 P27487 6/20 0.53
▸ DPP7 Q9UHL4 6/20 0.53
▸ KCNH2 Q12809 3/20 0.53
▸ CTSL P07711 1/20 0.52
▸ CTSB P07858 1/20 0.52
▸ CTSK P43235 1/20 0.52
▸ TLR4 O00206 1/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ KDM1A O60341 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47

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
SCHEMBL7843520 0.88 ALDH1A1 (0.58) ALDH1A1GAATSHREPHX1MEN1
SCHEMBL9029185 0.88 ALDH1A1 (0.58) ALDH1A1GAATSHREPHX1MEN1
SCHEMBL3948461 0.87 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1MEN1
SCHEMBL381922 0.87 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1MEN1
SCHEMBL3948456 0.87 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1MEN1
SCHEMBL5029247 0.87 ALDH1A1 (0.64) ALDH1A1GAATSHREPHX1MEN1
SCHEMBL17872903 0.86 ALDH1A1 (0.71) ALDH1A1GAATSHREPHX1MEN1
SCHEMBL15328920 0.86 ALDH1A1 (0.71) ALDH1A1GAATSHREPHX1MEN1
SCHEMBL3365910 0.86 ALDH1A1 (0.71) ALDH1A1GAATSHREPHX1MEN1
SCHEMBL5029401 0.86 ALDH1A1 (0.63) ALDH1A1GAATSHREPHX1MEN1

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-20200155689-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2020-05-21 — — US disclosed
US-8470828-B2 Anellated pyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 — — US disclosed
US-20120010201-A1 NOVEL ANELLATED PYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-01-12 — — 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 (2 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-20200155689-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 ALDH1A1 3671/4885GAA 1175/4885TSHR 3772/4885
US-20120010201-A1 NOVEL ANELLATED PYRIDINE COMPOUNDS ADORA3, ADORA2A, HTR3A ALDH1A1 450/4885GAA 4051/4885TSHR 192/4885

“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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