SCHEMBL12846356

SCHEMBL12846356

COc1cc(C#N)cc(O)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
ALOX15 P16050 2/20 0.51
HSD17B10 Q99714 2/20 0.51
RGS12 O14924 1/20 0.51
GMNN O75496 1/20 0.51
USP2 O75604 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
NFKB1 P19838 1/20 0.51
BLM P54132 1/20 0.51
GNAI1 P63096 1/20 0.51
PMP22 Q01453 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
SCHEMBL443285 0.91 TTR (0.52) EGFRLMNAMEN1KMT2AKDM4E
SCHEMBL10493540 0.86 NFKB1 (0.45) EGFRLMNAMEN1KMT2AKDM4E
SCHEMBL17655654 0.86 TTR (0.47) EGFRLMNAMEN1KMT2AKDM4E
SCHEMBL9244309 0.84 TTR (0.45) EGFRLMNAMEN1KMT2AKDM4E
SCHEMBL1175107 0.84 EGFR (0.54) EGFRLMNAMEN1KMT2AKDM4E
SCHEMBL8440705 0.82 MEN1 (0.64) EGFRLMNAMEN1KMT2AKDM4E
SCHEMBL1175171 0.82 CYP19A1 (0.47) EGFRLMNAMEN1KMT2AKDM4E
SCHEMBL17744575 0.82 TTR (0.44) EGFRLMNAMEN1KMT2AKDM4E
SCHEMBL4168959 0.79 MEN1 (0.56) EGFRLMNAMEN1KMT2AKDM4E
SCHEMBL6302783 0.79 PTGS2 (0.50) EGFRLMNAMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299276-B2 Interlocked molecules and related components, compositions, methods and systems CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-10-30 US disclosed
US-20110065935-A1 INTERLOCKED MOLECULES AND RELATED COMPONENTS, COMPOSITIONS, MATERIALS, METHODS AND SYSTEMS NATIONAL SCIENCE FOUNDATION 2011-03-17 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-20110065935-A1 INTERLOCKED MOLECULES AND RELATED COMPONENTS, COMPOSITIONS, MATERIALS, METHODS AND SYSTEMS ECPAS, RAD52, ILK EGFR 4122/4885LMNA 800/4885MEN1 550/4885

“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.