SCHEMBL4734848

SCHEMBL4734848

COc1cc(C=Cc2ccc(OP(=O)(O)O)cc2)cc(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 7/20 0.66
CYP1B1 Q16678 7/20 0.66
PTGS2 P35354 5/20 0.66
ESR1 P03372 4/20 0.66
NQO2 P16083 4/20 0.66
ALOX5 P09917 4/20 0.66
TTR P02766 3/20 0.66
AHR P35869 3/20 0.66
CYP1A2 P05177 3/20 0.66
ABL1 P00519 2/20 0.66
ABCB1 P08183 2/20 0.66
BCR P11274 2/20 0.66
CYP19A1 P11511 2/20 0.66
TUBB4A P04350 2/20 0.66
TUBB P07437 2/20 0.66
TUBA3C P0DPH7 2/20 0.66
TUBA1B P68363 2/20 0.66
TUBA4A P68366 2/20 0.66
TUBB4B P68371 2/20 0.66
TUBB3 Q13509 2/20 0.66

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
SCHEMBL4736118 1.00 CYP1A1 (0.66) CYP1A1CYP1B1PTGS2ESR1NQO2
SCHEMBL741474 0.90 INPPL1 (0.59) CYP1A1CYP1B1PTGS2ESR1NQO2
SCHEMBL14175313 0.83 TUBB1 (0.67) CYP1A1CYP1B1PTGS2NQO2CYP1A2
SCHEMBL30340032 0.81 PTGS1 (0.58) CYP1A1CYP1B1PTGS2ESR1NQO2
Trismethoxyresveratrol SCHEMBL918740 0.80 CYP1A1 (1.00) CYP1A1CYP1B1PTGS2ESR1NQO2
Trismethoxyresveratrol SCHEMBL918739 0.80 CYP1A1 (1.00) CYP1A1CYP1B1PTGS2ESR1NQO2
8Z-3,4',5-Trimethoxystilbene SCHEMBL1006207 0.80 CYP1A1 (1.00) CYP1A1CYP1B1PTGS2ESR1NQO2
SCHEMBL12205333 0.79 INPPL1 (0.46) CYP1A1CYP1B1PTGS2ESR1NQO2
SCHEMBL3219196 0.78 SRC (0.60)
SCHEMBL27799416 0.78 INPPL1 (0.76) CYP1A1CYP1B1CYP1A2KDM4EMEN1

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-20120178704-A1 PREVENTION AND TREATMENT OF COLON CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-07-12 US claimed
WO-2008070872-A1 PREVENTION AND TREATMENT OF COLON CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2008-06-12 WO 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 1133/4885PTGS2 28/4885

“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.