SCHEMBL996208

SCHEMBL996208

CCC(CC)(O[PH](=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PTPN5 P54829 1/20 0.40
HPGD P15428 2/20 0.39
KIF11 P52732 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 1/20 0.36
AGTR1 P30556 1/20 0.36
LMNA P02545 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 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
SCHEMBL996408 0.89 MAPK1 (0.40) MAPTL3MBTL1KIF11ALDH1A1LMNA
SCHEMBL995493 0.80 NPC1 (0.37) MAPTHPGDKIF11ALDH1A1NPC1
SCHEMBL995627 0.79 CES2 (0.39) MAPTKIF11ALDH1A1LMNAHTT
SCHEMBL995341 0.79 PLK1 (0.39) SMN1; SMN2HPGDKIF11ALDH1A1RAB9A
SCHEMBL28391871 0.79 KCNN4 (0.37) CYP2C9MAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL1123408 0.79 NPC1 (0.43) CYP2C9MAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL2209644 0.79 HDAC1 (0.62) HDAC3HDAC1HDAC2
SCHEMBL2948040 0.77 ALDH1A1 (0.42) MAPTL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL9336381 0.75 TNF (0.58) CYP2C9MAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL995067 0.75 KIF11 (0.41) MAPTPTPN5KIF11ALDH1A1RAB9A

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 CYP2C9 706/4885MAPT 3932/4885SMN1; SMN2 3023/4885

“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.