SCHEMBL995627

SCHEMBL995627

CCC(CC)(O[PH](=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
PTPN1 P18031 1/20 0.38
GSK3B P49841 1/20 0.38
KIF11 P52732 1/20 0.37
MAOB P27338 2/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
IDO1 P14902 2/20 0.36
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL28391871 0.85 KCNN4 (0.37) LMNAMEN1KMT2AHTTNPSR1
SCHEMBL995493 0.83 NPC1 (0.37) LMNAKIF11BCHEACHEALDH1A1
SCHEMBL29024520 0.83 HDAC3 (0.43) LMNABCHEACHEEPHX2NOS3
SCHEMBL1123408 0.81 NPC1 (0.43) LMNAMEN1KMT2AACHEEPHX2
SCHEMBL995341 0.81 PLK1 (0.39) MEN1KMT2AKIF11IDO1ALDH1A1
SCHEMBL996408 0.81 MAPK1 (0.40) CES1LMNAMEN1KMT2AHTT
SCHEMBL2948040 0.80 ALDH1A1 (0.42) CES2CES1LMNAMEN1KMT2A
SCHEMBL996208 0.79 CYP2C9 (0.42) LMNAHTTKIF11ALDH1A1MAPT
SCHEMBL995067 0.77 KIF11 (0.41) HTTGSK3BKIF11EPHX2ALDH1A1
SCHEMBL25564041 0.76 CES2 (0.42) CES2CES1MEN1KMT2ANPSR1

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
US-9133211-B2 Dithienobenzodithiophene semiconductive material and electronic device using the same RICOH COMPANY, LTD. (JP) 2015-09-15 US disclosed
EP-2457272-A1 NOVEL ORGANIC SEMICONDUCTIVE MATERIAL AND ELECTRONIC DEVICE USING THE SAME Ricoh Company, Ltd. (JP) 2012-05-30 EP disclosed
US-20120119195-A1 NOVEL ORGANIC SEMICONDUCTIVE MATERIAL AND ELECTRONIC DEVICE USING THE SAME RICOH COMPANY, LTD. (JP) 2012-05-17 US disclosed
WO-2011010710-A1 NOVEL ORGANIC SEMICONDUCTIVE MATERIAL AND ELECTRONIC DEVICE USING THE SAME RICOH COMPANY, LTD. (JP) 2011-01-27 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-20120119195-A1 NOVEL ORGANIC SEMICONDUCTIVE MATERIAL AND ELECTRONIC DEVICE USING THE SAME RPS10, OR10J3, RPS20 CES2 716/4885CES1 3005/4885LMNA 4395/4885

“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.