SCHEMBL728840

SCHEMBL728840

CCOc1ccc(NC(=O)C2CC(C)=C(C)CC2C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 1.00
TSHR P16473 2/20 1.00
POLB P06746 5/20 0.70
ALDH1A1 P00352 3/20 0.58
LMNA P02545 4/20 0.57
MAPK1 P28482 1/20 0.57
MEN1 O00255 4/20 0.54
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
MAPT P10636 2/20 0.53
CYP1A2 P05177 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL730841 0.85 KMT2A (0.74) KMT2ATSHRPOLBALDH1A1MEN1
SCHEMBL3503625 0.83 TSHR (0.71) KMT2ATSHRPOLBALDH1A1RAB9A
SCHEMBL10903940 0.82 TSHR (0.68) KMT2ATSHRPOLBALDH1A1LMNA
SCHEMBL10904612 0.80 TSHR (0.67) KMT2ATSHRPOLBALDH1A1MAPK1
SCHEMBL10905952 0.80 ALDH1A1 (0.72) KMT2ATSHRPOLBALDH1A1LMNA
SCHEMBL728908 0.79 TSHR (0.65) KMT2ATSHRPOLBALDH1A1LMNA
SCHEMBL730827 0.79 TSHR (0.65) KMT2ATSHRPOLBALDH1A1LMNA
SCHEMBL10904584 0.79 ALDH1A1 (0.71) KMT2ATSHRPOLBALDH1A1LMNA
SCHEMBL3501643 0.78 CYP2C19 (0.69) KMT2ATSHRPOLBALDH1A1MEN1
SCHEMBL10904262 0.78 KMT2A (0.64) KMT2ATSHRPOLBALDH1A1MAPK1

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
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

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 KMT2A 4493/4885TSHR 886/4885POLB 4020/4885

“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.