Sugi Predict

Sugi Predict / Compounds / SCHEMBL806380

SCHEMBL806380

SCHEMBL806380

COc1ccc(N(c2ccc(C=Cc3ccc(N(c4ccc(CO)cc4)c4ccc(CO)cc4)cc3)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.49
▸ CYP1A1 P04798 3/20 0.49
▸ CYP1B1 Q16678 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ RELA Q04206 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ PTGS1 P23219 2/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ TRPA1 O75762 1/20 0.49
▸ ESR1 P03372 4/20 0.47
▸ CYP1A2 P05177 3/20 0.47
▸ NQO2 P16083 2/20 0.47
▸ ALOX5 P09917 2/20 0.47
▸ AHR P35869 2/20 0.47
▸ NFE2L2 Q16236 2/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ TTR P02766 1/20 0.47
▸ ABCB1 P08183 1/20 0.47
▸ BCR P11274 1/20 0.47
▸ CYP19A1 P11511 1/20 0.47

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
SCHEMBL13903231 0.94 TRPA1 (0.56) PTGS2CYP1A1CYP1B1KDM4ERELA
SCHEMBL17447232 0.94 RELA (0.60) PTGS2CYP1A1CYP1B1KDM4ERELA
SCHEMBL12731278 0.94 RELA (0.60) PTGS2CYP1A1CYP1B1KDM4ERELA
SCHEMBL14569527 0.90 RELA (0.46) PTGS2CYP1A1CYP1B1KDM4ERELA
SCHEMBL14559012 0.90 RELA (0.46) PTGS2CYP1A1CYP1B1KDM4ERELA
SCHEMBL17553031 0.90 TRPA1 (0.55) CYP1A1CYP1B1KDM4ERELATRPA1
SCHEMBL12732320 0.90 IDO1 (0.47) ALOX12CYP3A4SMN1; SMN2TP53TSHR
SCHEMBL11526356 0.90 RELA (0.59) PTGS2CYP1A1CYP1B1KDM4ERELA
SCHEMBL11526358 0.90 RELA (0.59) PTGS2CYP1A1CYP1B1KDM4ERELA
SCHEMBL10062238 0.90 IDO1 (0.47) ALOX12CYP3A4SMN1; SMN2TP53TSHR

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 PTGS2 918/4885CYP1A1 3618/4885CYP1B1 3678/4885

“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.