SCHEMBL730841

SCHEMBL730841

COc1ccc(NC(=O)C2CC(C)=C(C)CC2C(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.74
TSHR P16473 2/20 0.74
ALDH1A1 P00352 3/20 0.56
HPGD P15428 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HTT P42858 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
POLB P06746 4/20 0.56
USP2 O75604 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49

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
SCHEMBL10903940 0.85 TSHR (0.68) KMT2ATSHRALDH1A1HPGDKDM4E
SCHEMBL728840 0.85 KMT2A (1.00) KMT2ATSHRALDH1A1HPGDKDM4E
SCHEMBL3501643 0.84 CYP2C19 (0.69) KMT2ATSHRALDH1A1HPGDKDM4E
SCHEMBL10901783 0.84 KMT2A (0.54) KMT2ATSHRALDH1A1KDM4EHTT
SCHEMBL10903814 0.84 KMT2A (0.54) KMT2ATSHRALDH1A1KDM4EHTT
SCHEMBL10905952 0.83 ALDH1A1 (0.72) KMT2ATSHRALDH1A1HPGDKDM4E
SCHEMBL10904584 0.82 ALDH1A1 (0.71) KMT2ATSHRALDH1A1HPGDKDM4E
SCHEMBL728908 0.82 TSHR (0.65) KMT2ATSHRALDH1A1HPGDKDM4E
SCHEMBL730827 0.82 TSHR (0.65) KMT2ATSHRALDH1A1HPGDKDM4E
SCHEMBL3503625 0.79 TSHR (0.71) KMT2ATSHRALDH1A1HPGDKDM4E

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 4 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
US-4596826-A Anticonvulsants EISAI CO., LTD. (JP) 1986-06-24 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 886/4885ALDH1A1 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.