Sugi Predict

Sugi Predict / Compounds / SCHEMBL2126272

SCHEMBL2126272

SCHEMBL2126272

CC(C)(C)c1cc(C(=CC=O)c2ccc(F)c(F)c2)cc(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.40
▸ CES1 P23141 2/20 0.40
▸ PTGS2 P35354 2/20 0.39
▸ CHRNA1 P02708 1/20 0.38
▸ CHRNG P07510 1/20 0.38
▸ CHRNB1 P11230 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ CHRND Q07001 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ CASP7 P55210 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
SCHEMBL28031837 0.73 HDAC1 (0.48) MAPTALOX15MAPK1SMN1; SMN2HSD17B10
SCHEMBL28497545 0.73 CPS1 (0.42) MAPTALOX15MAPK1HSD17B10TDP1
SCHEMBL28221419 0.71 CES2 (0.50) CES2CES1PTGS2CHRNA1CHRNG
SCHEMBL2126271 0.70 SMN1; SMN2 (0.58) CES2CES1PTGS2MAPTTP53
SCHEMBL2126269 0.70 SMN1; SMN2 (0.58) CES2CES1PTGS2MAPTTP53
SCHEMBL8160160 0.69 RXRA (0.55) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL8160158 0.69 RXRA (0.55) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL10520186 0.67 GABRA1 (0.40) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL10520180 0.67 GABRA1 (0.40) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL25356153 0.67 HDAC1 (0.46) CES2CES1MAPTSMN1; SMN2HDAC3

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
EP-2443132-B1 PLATINUM (II) ISOQUINOLINE-PYRIDINE-BENZENE BASED COMPLEXES, PREPARING METHOD THEREOF, AND ORGANIC LIGHT-EMITTING DIODES MADE THEREFROM VERSITECH LTD (CN) 2018-10-10 — — EP disclosed
EP-2443132-A1 PLATINUM (II) ISOQUINOLINE-PYRIDINE-BENZENE BASED COMPLEXES, PREPARING METHOD THEREOF, AND ORGANIC LIGHT-EMITTING DIODES MADE THEREFROM Versitech Limited (CN) 2012-04-25 — — EP disclosed
WO-2010145190-A1 PLATINUM (II) ISOQUINOLINE-PYRIDINE-BENZENE BASED COMPLEXES, PREPARING METHOD THEREOF, AND ORGANIC LIGHT-EMITTING DIODES MADE THEREFROM THE UNIVERSITY OF HONG KONG (CN) 2010-12-23 — — WO disclosed
US-20100314994-A1 Platinum (II) Isoqulinoline-Pyridine-Benzene Based Complexes, Methods for Making Same, and Organic Light-Emitting Diodes Including Such Complexes VERSITECH LIMITED (CN) 2010-12-16 — — 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-20100314994-A1 Platinum (II) Isoqulinoline-Pyridine-Benzene Based Complexes, Methods for Making Same, and Organic Light-Emitting Diodes Including Such Complexes OCIAD2, PDCD1LG2, PDCD2L CES2 3912/4885CES1 4821/4885PTGS2 1126/4885

“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.