SCHEMBL995341

SCHEMBL995341

CCc1ccc(C(CC)(CC)O[PH](=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
CYP2C19 P33261 1/20 0.36
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
IDO1 P14902 2/20 0.35
RAB9A P51151 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
EGFR P00533 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KIF11 P52732 2/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33

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
SCHEMBL995493 0.83 NPC1 (0.37) ALDH1A1TDP1RAB9AESR1ESR2
SCHEMBL10726496 0.83 AKT1 (0.34) PLK1ALDH1A1ESR1ESR2MEN1
SCHEMBL1123408 0.81 NPC1 (0.43) ALDH1A1TDP1SMN1; SMN2CYP2C19RAB9A
SCHEMBL28391871 0.81 KCNN4 (0.37) ALDH1A1SMN1; SMN2CYP2C19RAB9AHPGD
SCHEMBL995627 0.81 CES2 (0.39) ALDH1A1CYP2C19IDO1MEN1KMT2A
SCHEMBL996408 0.81 MAPK1 (0.40) ALDH1A1CYP2C19MEN1KMT2AKIF11
SCHEMBL998130 0.80 ESR1 (0.49) ALDH1A1LPLLIPGESR1EGFR
SCHEMBL2948040 0.80 ALDH1A1 (0.42) PLK1ALDH1A1TDP1IDO1RAB9A
SCHEMBL29024520 0.80 HDAC3 (0.43) RAB9A
SCHEMBL996208 0.79 CYP2C9 (0.42) ALDH1A1SMN1; SMN2RAB9AHPGDKIF11

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 PLK1 4693/4885ALDH1A1 1821/4885TDP1 2740/4885

“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.