SCHEMBL10062374

SCHEMBL10062374

COc1ccc(N(c2ccc(OC)cc2)c2ccc(Oc3ccc(N(c4ccc(CO)cc4)c4ccc(CO)cc4)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.53
RNF4 P78317 1/20 0.43
IDO1 P14902 2/20 0.42
AOC3 Q16853 1/20 0.41
CALM1 P0DP23 1/20 0.41
PARP10 Q53GL7 1/20 0.41
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
NR1I2 O75469 1/20 0.40
AGXT P21549 1/20 0.40
IGF1R P08069 1/20 0.40
ALOX15 P16050 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL10062238 0.94 IDO1 (0.47) LTA4HIDO1AOC3CALM1NR1I2
SCHEMBL3929503 0.94 IDO1 (0.47) LTA4HIDO1AOC3CALM1NR1I2
SCHEMBL12732320 0.94 IDO1 (0.47) LTA4HIDO1AOC3CALM1NR1I2
SCHEMBL806368 0.94 LTA4H (0.47) LTA4HRNF4
SCHEMBL15102173 0.91 LTA4H (0.63) LTA4HNR3C1
SCHEMBL12611356 0.89 MAOB (0.49) IDO1AOC3CALM1NR1I2AGXT
SCHEMBL9892953 0.89 LTA4H (0.53) LTA4HIDO1AOC3CALM1NR1I2
SCHEMBL12200966 0.89 MAOB (0.49) IDO1AOC3CALM1NR1I2AGXT
SCHEMBL14769812 0.89 LMNA (0.46) LTA4HIDO1AOC3CALM1NR1I2
SCHEMBL10065946 0.89 IDO1 (0.42) LTA4HIDO1AOC3CALM1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LTA4H 760/4885RNF4 974/4885IDO1 4239/4885

“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.