SCHEMBL7690022

SCHEMBL7690022

O=C1C=CO[C@@H](COCc2ccc(Br)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MAOB P27338 10/20 0.34
MAOA P21397 8/20 0.34
IDO1 P14902 2/20 0.34
PTPN1 P18031 2/20 0.32
CDC25B P30305 1/20 0.32
AR P10275 1/20 0.32
CCR5 P51681 1/20 0.31
HPD P32754 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ABHD6 Q9BV23 1/20 0.30
DAGLA Q9Y4D2 1/20 0.30

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
SCHEMBL7714704 1.00 LMNA (0.38) LMNAMAOBMAOAIDO1PTPN1
SCHEMBL1028137 0.86 LMNA (0.52) LMNAPTPN1CDC25B
SCHEMBL7019706 0.86 LMNA (0.52) LMNAPTPN1CDC25B
SCHEMBL2412297 0.74 IDO1 (0.44) LMNAMAOBIDO1ALDH1A1HPGD
SCHEMBL2412299 0.74 IDO1 (0.44) LMNAMAOBIDO1ALDH1A1HPGD
SCHEMBL13544337 0.70 SMN1; SMN2 (0.49) LMNAPTPN1CDC25BALDH1A1SMN1; SMN2
SCHEMBL6961092 0.68 TDP1 (0.53) ALDH1A1SMN1; SMN2
SCHEMBL4598273 0.67 IDO1 (0.47) IDO1
SCHEMBL18077555 0.66 CYP2C9 (0.38) LMNAMAOBALDH1A1
SCHEMBL14635989 0.65 GRM2 (0.43) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369223-B2 USING CATALYST COMPLEX PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-04-09 US disclosed
US-20020004602-A1 Asymmetric cycloaddition reactions JACOBSEN ERIC N (US) 2002-01-10 US disclosed
US-6211370-B1 REACTING A DIENOPHILE WITH A 1,3-DIENE HARVARD UNIVERSITY 2001-04-03 US disclosed
US-6130340-A CATALYST SELECTIVITY; DRUG CHEMICAL INTERMEDIATES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-10-10 US disclosed
WO-1999036375-A1 ASYMMETRIC CYCLOADDITION REACTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1999-07-22 WO 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-20020004602-A1 Asymmetric cycloaddition reactions PAPSS1, SPR, CMKLR1 LMNA 4816/4885MAOB 2134/4885MAOA 1621/4885

“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.