SCHEMBL10062039

SCHEMBL10062039

COc1ccc(N(c2ccc(CO)cc2)c2ccccc2CCc2ccccc2N(c2ccc(CO)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.42
LTA4H P09960 2/20 0.40
ALDH1A1 P00352 1/20 0.39
KEAP1 Q14145 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
AOC3 Q16853 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
ALOX5 P09917 1/20 0.37
CALM1 P0DP23 1/20 0.37

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
SCHEMBL15102307 0.88 TSHR (0.41) LTA4HLTB4R2
SCHEMBL18268266 0.82 LTA4H (0.52) LTA4H
SCHEMBL19270226 0.82 LTA4H (0.52) LTA4H
SCHEMBL6509895 0.82 LTA4H (0.52) LTA4H
SCHEMBL3929503 0.81 IDO1 (0.47) LTA4HALDH1A1AOC3CALM1
SCHEMBL10062238 0.81 IDO1 (0.47) LTA4HALDH1A1AOC3CALM1
SCHEMBL12732320 0.81 IDO1 (0.47) LTA4HALDH1A1AOC3CALM1
SCHEMBL10028280 0.79 ALDH1A1 (0.53) ALDH1A1
SCHEMBL10053553 0.79 TOP2A (0.38) LTA4HALDH1A1KEAP1
SCHEMBL12238160 0.78 LTA4H (0.41) LTA4HKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012036295-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR, IMAGE FORMING METHOD, IMAGE FORMING APPARATUS, AND PROCESS CARTRIDGE RICOH COMPANY, LTD. (JP) 2012-03-22 WO disclosed
US-20120021346-A1 IMAGE BEARING MEMBER AND IMAGE FORMING METHOD, IMAGE FORMING APPARATUS, AND PROCESS CARTRIDGE USING SAME RICOH COMPANY, LTD. (JP) 2012-01-26 US disclosed
US-20110200926-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR, IMAGE FORMING METHOD, IMAGE FORMING APPARATUS, AND PROCESS CARTRIDGE RICOH COMPANY, LTD. (JP) 2011-08-18 US disclosed
US-20110081607-A1 METHYLOL COMPOUND, ALDEHYDE COMPOUND, METHOD FOR PREPARING THE METHYLOL COMPOUND USING THE ALDEHYDE COMPOUND, AND PHOTORECEPTOR USING THE METHYLOL COMPOUND RICOH COMPANY, LTD., (JP) 2011-04-07 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-20110081607-A1 METHYLOL COMPOUND, ALDEHYDE COMPOUND, METHOD FOR PREPARING THE METHYLOL COMPOUND USING THE ALDEHYDE COMPOUND, AND PHOTORECEPTOR USING THE METHYLOL COMPOUND ALDH1A2, MGMT, MCOLN2 ABCB1 3232/4885LTA4H 760/4885ALDH1A1 98/4885

“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.