SCHEMBL16625552

SCHEMBL16625552

COc1cc(Nc2ncccc2/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)ccc1CO

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.48
TNFRSF1A P19438 7/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
POLB P06746 2/20 0.43
CYP1A1 P04798 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP1B1 Q16678 3/20 0.43
KRAS P01116 2/20 0.43
GAA P10253 1/20 0.42
CYP2D6 P10635 2/20 0.41
CYP2C8 P10632 1/20 0.41

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
SCHEMBL16625574 0.91 ABCG2 (0.49) ABCB1TNFRSF1AABCG2CYP1A1CYP1A2
SCHEMBL16616869 0.89 ABCB1 (0.52) ABCB1TNFRSF1AABCG2POLBCYP1A1
SCHEMBL16616871 0.89 ABCB1 (0.52) ABCB1TNFRSF1AABCG2POLBCYP1A1
SCHEMBL16616602 0.89 ABCB1 (0.56) ABCB1TNFRSF1AABCG2CYP1A1CYP1A2
SCHEMBL16616603 0.89 ABCB1 (0.56) ABCB1TNFRSF1AABCG2CYP1A1CYP1A2
SCHEMBL16625565 0.89 ABCB1 (0.46) ABCB1TNFRSF1AABCG2POLBCYP1A1
SCHEMBL16625607 0.89 MAOB (0.50) ABCB1TNFRSF1AABCG2
SCHEMBL16625573 0.89 CTSL (0.47) ABCB1ABCG2CYP1A1CYP1A2CYP1B1
SCHEMBL16625569 0.89 ABCB1 (0.49) ABCB1TNFRSF1AABCG2POLBCYP1A1
SCHEMBL16625576 0.88 MAPT (0.51) ABCB1ABCG2CYP1A1CYP1A2CYP1B1

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 ABCB1 537/4885TNFRSF1A 1747/4885ABCG2 289/4885

“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.