SCHEMBL4785969

SCHEMBL4785969

COC(=O)c1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.63
MAPT P10636 3/20 0.63
LMNA P02545 2/20 0.63
NQO2 P16083 4/20 0.62
CYP1A1 P04798 4/20 0.62
CYP1B1 Q16678 4/20 0.62
TTR P02766 3/20 0.62
ALOX5 P09917 3/20 0.62
PTGS2 P35354 3/20 0.62
ESR1 P03372 2/20 0.62
ABL1 P00519 2/20 0.62
ABCB1 P08183 2/20 0.62
BCR P11274 2/20 0.62
CYP19A1 P11511 2/20 0.62
TUBB4A P04350 2/20 0.62
TUBB P07437 2/20 0.62
TUBA3C P0DPH7 2/20 0.62
TUBA1B P68363 2/20 0.62
TUBA4A P68366 2/20 0.62
TUBB4B P68371 2/20 0.62

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
SCHEMBL4733209 1.00 NPC1 (0.63) NPC1MAPTLMNANQO2CYP1A1
SCHEMBL4733208 1.00 NPC1 (0.63) NPC1MAPTLMNANQO2CYP1A1
SCHEMBL17386317 0.91 MAPT (0.57) NPC1MAPTLMNANQO2CYP1A1
SCHEMBL17386315 0.91 MAPT (0.57) NPC1MAPTLMNANQO2CYP1A1
SCHEMBL12294524 0.88 MAPT (0.79) NPC1MAPTLMNAPTPN1RAB9A
SCHEMBL18552317 0.88 PTPN1 (0.72) NPC1MAPTLMNAPTGS2PTPN1
SCHEMBL2399827 0.86 NPC1 (0.71) NPC1MAPTLMNANQO2CYP1A1
SCHEMBL2399830 0.86 NPC1 (0.71) NPC1MAPTLMNANQO2CYP1A1
SCHEMBL71401 0.86 PTPN1 (0.73) NPC1MAPTLMNAPTPN1RAB9A
SCHEMBL2627847 0.86 PTPN1 (0.73) NPC1MAPTLMNAPTPN1RAB9A

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 6 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
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 NPC1 2848/4885MAPT 3983/4885LMNA 1428/4885

“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.