SCHEMBL9892436

SCHEMBL9892436

COC(=O)C(=C=C/C=C(\NC(=O)c1ccccc1)C(=O)OC)NC(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.60
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 7/20 0.46
HPGD P15428 5/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
POLB P06746 2/20 0.44
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
GLA P06280 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL16326401 0.84 LMNA (0.75) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8232803 0.81 LMNA (0.81) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL713223 0.79 LMNA (0.68) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8226795 0.79 LMNA (0.68) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL715328 0.79 LMNA (0.68) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8234958 0.77 LMNA (0.74) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL1307670 0.76 LMNA (0.59) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL1307672 0.76 LMNA (0.59) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL12112859 0.76 LMNA (0.59) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL7642884 0.74 LMNA (0.69) LMNAMEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142892-A1 CONTOXIN ANALOGUES AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE-CONTAINING PEPTIDES POLYCHIP PHARMACEUTICALS PTY LTD. (AU) 2012-06-07 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-20120142892-A1 CONTOXIN ANALOGUES AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE-CONTAINING PEPTIDES VIP, CANX, INHA LMNA 363/4885MEN1 1446/4885KMT2A 2975/4885

“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.