SCHEMBL16616969

SCHEMBL16616969

COc1ccc(C=CC(=O)c2cccnc2Nc2cc(OC)c(OC)c(OC)c2)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 8/20 0.61
TUBB4A P04350 6/20 0.61
TUBB P07437 6/20 0.61
TUBA3C P0DPH7 6/20 0.61
TUBA1B P68363 6/20 0.61
TUBA4A P68366 6/20 0.61
TUBB4B P68371 6/20 0.61
TUBB3 Q13509 6/20 0.61
TUBB2A Q13885 6/20 0.61
TUBB8 Q3ZCM7 6/20 0.61
TUBA3E Q6PEY2 6/20 0.61
TUBA1A Q71U36 6/20 0.61
TUBA1C Q9BQE3 6/20 0.61
TUBB6 Q9BUF5 6/20 0.61
TUBB2B Q9BVA1 6/20 0.61
BCHE P06276 1/20 0.58
BACE1 P56817 2/20 0.54
CYP1A1 P04798 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP1B1 Q16678 1/20 0.53

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
SCHEMBL16616966 1.00 TUBB1 (0.61) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16616826 0.92 ABCG2 (0.55) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16616824 0.92 ABCG2 (0.55) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16616468 0.91 ABCG2 (0.56) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16616465 0.91 ABCG2 (0.56) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16616862 0.90 CYP1A1 (0.55) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16616860 0.90 CYP1A1 (0.55) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16616382 0.90 KRAS (0.60) CYP1A1CYP1A2CYP1B1LMNAALDH1A1
SCHEMBL16616380 0.90 KRAS (0.60) CYP1A1CYP1A2CYP1B1LMNAALDH1A1
SCHEMBL16616836 0.89 TUBB1 (0.59) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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-9006451-B1 2-anilinonicotinyl based chalcones useful as potential anticancer agents and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-14 US disclosed
US-20150099888-A1 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-09 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-20150099888-A1 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof HCCS, WEE2, WEE1 TUBB1 538/4885TUBB4A 258/4885TUBB 743/4885

“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.