SCHEMBL13047077

SCHEMBL13047077

COC(=O)OCC[C@@H](C)CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL31149440 0.87 SMN1; SMN2 (0.51) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL27556300 0.86 ALDH1A1 (0.51) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL6559718 0.86 ALDH1A1 (0.51) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL5186550 0.84 ALDH1A1 (0.50) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL7030449 0.84 CA12 (0.48) SMN1; SMN2MEN1HTTKMT2AHPGD
SCHEMBL2021869 0.83 HCAR2 (0.54) TSHRSMN1; SMN2HPGDALDH1A1TDP1
SCHEMBL27489982 0.83 HCAR2 (0.60) TSHRSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL22283432 0.83 TSHR (0.53) TSHRSMN1; SMN2KMT2AALDH1A1TDP1
SCHEMBL7030463 0.82 IDO1 (0.52) TSHRSMN1; SMN2
SCHEMBL6247246 0.82 TDP1 (0.50) TSHRSMN1; SMN2MEN1HTTKMT2A

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-7838697-B2 Manufacturing method of organoboron compound NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2010-11-23 US disclosed
US-20080262257-A1 MANUFACTURING METHOD OF ORGANOBORON COMPOUND NIPPON CHEMICAL INDUSTRIAL CO., LTD (JP) 2008-10-23 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-20080262257-A1 MANUFACTURING METHOD OF ORGANOBORON COMPOUND SQLE, ICOSLG, GRB7 TSHR 2053/4885SMN1; SMN2 2007/4885MEN1 919/4885

“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.