SCHEMBL6029592

SCHEMBL6029592

COc1cc(/C=C/C=C(\C#N)C(N)=S)cc(OC)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.49
ERBB2 P04626 4/20 0.45
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
CYP1A2 P05177 5/20 0.44
MAPT P10636 5/20 0.44
KMT2A Q03164 5/20 0.44
CYP3A4 P08684 4/20 0.44
CYP2C9 P11712 4/20 0.44
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
BLM P54132 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
RGS12 O14924 3/20 0.44
ALOX15 P16050 3/20 0.44
NFKB1 P19838 3/20 0.44
GNAI1 P63096 3/20 0.44
PMP22 Q01453 3/20 0.44

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
SCHEMBL6029599 1.00 EGFR (0.49) EGFRERBB2ABL1BCRCYP1A2
SCHEMBL6028927 0.86 MCL1 (0.56) EGFRERBB2CYP1A2KMT2ACYP3A4
SCHEMBL6028926 0.86 MCL1 (0.56) EGFRERBB2CYP1A2KMT2ACYP3A4
SCHEMBL13678210 0.84 EGFR (0.50) EGFRERBB2ABL1BCRCYP1A2
SCHEMBL13678150 0.82 CYP1A2 (0.51) EGFRABL1BCRCYP1A2MAPT
SCHEMBL4481016 0.82 PKM (0.54) EGFRABL1BCRCYP1A2MAPT
SCHEMBL4481022 0.82 PKM (0.54) EGFRABL1BCRCYP1A2MAPT
SCHEMBL4488546 0.81 APP (0.52) EGFRABL1BCRCYP1A2MAPT
SCHEMBL4488550 0.81 APP (0.52) EGFRABL1BCRCYP1A2MAPT
SCHEMBL4487740 0.80 DNM1 (0.46) EGFRCYP1A2MAPTKMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1272457-B9 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RES DEV LP (CA) 2006-12-20 EP claimed
EP-1272457-B1 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RES DEV LP (CA) 2006-08-23 EP claimed
US-7012095-B2 Compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED (CA) 2006-03-14 US claimed
US-7598419-B2 Compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2009-10-06 US disclosed
US-20070243612-A1 Novel Compounds for Modulating Cell Proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2007-10-18 US disclosed
US-20070243612-A1 Novel Compounds for Modulating Cell Proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2007-10-18 US disclosed
EP-1272457-B9 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RES DEV LP (CA) 2006-12-20 EP disclosed
EP-1272457-B1 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RES DEV LP (CA) 2006-08-23 EP disclosed
US-6800659-B2 NOVEL STYRYLACRYLONITRILE COMPOUNDS WHICH ARE USEFUL IN TREATING A VARIETY OF CELL PROLIFERATIVE DISORDERS SUCH AS CANCER ARE DISCLOSED. A METHOD OF MODULATING CELL PROLIFERATION COMPRISING ADMINISTERING AN EFFECTIVE AMOUNT OF HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2004-10-05 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-20070243612-A1 Novel Compounds for Modulating Cell Proliferation MKI67, CCNA1, PCNA EGFR 1713/4885ERBB2 1127/4885ABL1 1937/4885

“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.