SCHEMBL730842

SCHEMBL730842

O=C(O)C1CC=CCC1C(=O)Nc1ccc(I)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.73
POLB P06746 6/20 0.73
ALDH1A1 P00352 11/20 0.67
TSHR P16473 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
SHMT2 P34897 1/20 0.67
LMNA P02545 2/20 0.62
GRM4 Q14833 1/20 0.60
MAPK1 P28482 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
HTT P42858 2/20 0.58
MEN1 O00255 1/20 0.58
BLM P54132 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL727184 0.84 ALDH1A1 (0.84) TDP1POLBALDH1A1TSHRL3MBTL1
SCHEMBL7823332 0.84 TDP1 (0.73) TDP1POLBALDH1A1TSHRL3MBTL1
SCHEMBL3926210 0.83 POLB (0.82) TDP1POLBALDH1A1TSHRL3MBTL1
SCHEMBL728680 0.80 ALDH1A1 (0.85) TDP1POLBALDH1A1TSHRL3MBTL1
SCHEMBL7832978 0.80 GAA (0.70) TDP1POLBALDH1A1TSHRL3MBTL1
SCHEMBL15960035 0.80 SHMT2 (1.00) TDP1POLBALDH1A1TSHRL3MBTL1
SCHEMBL7894858 0.80 ALDH1A1 (0.85) TDP1POLBALDH1A1TSHRL3MBTL1
SCHEMBL26485915 0.79 TDP1 (0.66) TDP1POLBALDH1A1TSHRL3MBTL1
SCHEMBL730827 0.78 TSHR (0.65) POLBALDH1A1TSHRSHMT2LMNA
SCHEMBL7831950 0.77 KMT2A (0.72) TDP1POLBALDH1A1TSHRL3MBTL1

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
WO-2011163502-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2011-12-29 WO disclosed
US-20110319454-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2011-12-29 US disclosed
US-20110319454-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2011-12-29 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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-20110319454-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY FPR1, FPR2, FPR3 TDP1 2993/4885POLB 4020/4885ALDH1A1 1981/4885

“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.