SCHEMBL5896882

SCHEMBL5896882

CCCCOc1ccc(C2CCC(C(=O)OC)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
PDE4A P27815 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 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
SCHEMBL5897594 0.84 MMP1 (0.46) CRBNKDM4ESMN1; SMN2
SCHEMBL5896648 0.80 L3MBTL1 (0.40) CRBNNPC1HPGDKDM4E
SCHEMBL5896818 0.78 GPBAR1 (0.48)
SCHEMBL5897596 0.78 POLB (0.45) KDM4E
SCHEMBL5897010 0.72 POLB (0.46) NPC1RAB9AHPGDKDM4ESMN1; SMN2
SCHEMBL10449370 0.70 NPC1 (0.58) CRBNNPC1RAB9ALMNAHPGD
SCHEMBL10449371 0.70 NPC1 (0.58) CRBNNPC1RAB9ALMNAHPGD
SCHEMBL10449372 0.70 NPC1 (0.58) CRBNNPC1RAB9ALMNAHPGD
SCHEMBL27300695 0.70 TSHR (0.49) RAB9AHPGDKDM4ECYP1A2CYP2D6
SCHEMBL27028920 0.70 TSHR (0.49) RAB9AHPGDKDM4ECYP1A2CYP2D6

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-7038087-B2 Process for the production of optically active amino alcohols TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-05-02 US disclosed
US-20040063999-A1 Process for the production of optically active amino alcohols TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-04-01 US disclosed
EP-1398310-A1 Process for the production of optically active amino alcohols Takasago International Corporation (JP) 2004-03-17 EP 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-20040063999-A1 Process for the production of optically active amino alcohols ADH1C, ADH1A, ADH5 CRBN 1642/4885NPC1 4505/4885RAB9A 3548/4885

“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.