SCHEMBL13352116

SCHEMBL13352116

COc1ccc(/C=C/C(=O)Nc2ccccc2C)c(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.56
MMP2 P08253 6/20 0.56
MMP9 P14780 6/20 0.56
EGFR P00533 2/20 0.56
ABCG2 Q9UNQ0 1/20 0.54
TRPA1 O75762 1/20 0.53
TRPM8 Q7Z2W7 1/20 0.53
HDAC3 O15379 1/20 0.52
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
HDAC4 P56524 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52
HDAC1 Q13547 1/20 0.52
TUBB2A Q13885 1/20 0.52
TUBB8 Q3ZCM7 1/20 0.52
TUBA3E Q6PEY2 1/20 0.52

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
SCHEMBL14319169 0.86 TRPA1 (0.55) MMP1MMP2MMP9EGFRABCG2
SCHEMBL20468391 0.85 KDM4E (0.53) MMP1MMP2MMP9EGFRTRPA1
SCHEMBL13320675 0.85 TRPA1 (0.74) MMP1MMP2MMP9EGFRABCG2
SCHEMBL8637166 0.84 TRPA1 (0.59) MMP1MMP2MMP9ABCG2TRPA1
SCHEMBL8637159 0.84 TRPA1 (0.59) MMP1MMP2MMP9ABCG2TRPA1
SCHEMBL4666926 0.82 ABCG2 (0.55) ABCG2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4666922 0.82 ABCG2 (0.55) ABCG2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13352118 0.81 ALDH1A1 (0.74) MMP1MMP2MMP9EGFRHDAC3
SCHEMBL12585042 0.80 HTT (0.67) MMP1MMP2MMP9EGFRABCG2
SCHEMBL297188 0.79 MEN1 (0.74) MMP1MMP2MMP9EGFRNPC1

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-20100130497-A1 Therapeutic Compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2010-05-27 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-20100130497-A1 Therapeutic Compounds NFATC1, NAT1, AADAC MMP1 19/4885MMP2 88/4885MMP9 119/4885

“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.