SCHEMBL4734830

SCHEMBL4734830

COc1cc(/C=C/c2ccc(C(=O)O)cc2)cc(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.65
CYP1B1 Q16678 5/20 0.65
NQO2 P16083 4/20 0.65
TTR P02766 3/20 0.65
ALOX5 P09917 3/20 0.65
PTGS2 P35354 3/20 0.65
ESR1 P03372 2/20 0.65
ABL1 P00519 2/20 0.65
ABCB1 P08183 2/20 0.65
BCR P11274 2/20 0.65
CYP19A1 P11511 2/20 0.65
TUBB4A P04350 2/20 0.65
TUBB P07437 2/20 0.65
TUBA3C P0DPH7 2/20 0.65
TUBA1B P68363 2/20 0.65
TUBA4A P68366 2/20 0.65
TUBB4B P68371 2/20 0.65
TUBB3 Q13509 2/20 0.65
TUBB2A Q13885 2/20 0.65
TUBB8 Q3ZCM7 2/20 0.65

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
SCHEMBL4734779 1.00 CYP1A1 (0.65) CYP1A1CYP1B1NQO2TTRALOX5
SCHEMBL4731650 1.00 CYP1A1 (0.65) CYP1A1CYP1B1NQO2TTRALOX5
SCHEMBL5692873 0.87 XDH (0.78) CYP1B1KDM4EMEN1MAPTRAB9A
SCHEMBL5692868 0.87 XDH (0.78) CYP1B1KDM4EMEN1MAPTRAB9A
SCHEMBL4933805 0.86 CYP1A1 (0.65) CYP1A1CYP1B1NQO2TTRALOX5
SCHEMBL4933810 0.86 CYP1A1 (0.65) CYP1A1CYP1B1NQO2TTRALOX5
SCHEMBL2400847 0.85 RELA (0.68) CYP1A1CYP1B1NQO2CYP19A1CYP1A2
SCHEMBL2400852 0.85 RELA (0.68) CYP1A1CYP1B1NQO2CYP19A1CYP1A2
SCHEMBL4733208 0.85 NPC1 (0.63) CYP1A1CYP1B1NQO2TTRALOX5
SCHEMBL4733209 0.85 NPC1 (0.63) CYP1A1CYP1B1NQO2TTRALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426369-B2 Prevention and treatment of colon cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-04-23 US claimed
US-20120178704-A1 PREVENTION AND TREATMENT OF COLON CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-07-12 US claimed
US-8426369-B2 Prevention and treatment of colon cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-04-23 US disclosed
US-20120178704-A1 PREVENTION AND TREATMENT OF COLON CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-07-12 US disclosed
WO-2008070872-A1 PREVENTION AND TREATMENT OF COLON CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2008-06-12 WO 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-20120178704-A1 PREVENTION AND TREATMENT OF COLON CANCER APC, SI, NFKBIA CYP1A1 1123/4885CYP1B1 1133/4885NQO2 1440/4885

“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.