SCHEMBL17445908

SCHEMBL17445908

CCCCCOc1ccc(C2(c3ccc(OCCCCOc4ccc(C5(c6ccc(OC)cc6)c6ccccc6-c6ccccc65)cc4)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.50
LTA4H P09960 3/20 0.49
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
RECQL P46063 1/20 0.44
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.43
NR5A1 Q13285 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
DRD4 P21917 1/20 0.42
OPRK1 P41145 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL17445910 1.00 PDK2 (0.50) PDK2LTA4HMAPTL3MBTL1TDP1
SCHEMBL13098366 0.93 PDK2 (0.55) PDK2LTA4HMAPTL3MBTL1TDP1
SCHEMBL13730740 0.92 PDK2 (0.48) PDK2LTA4HMAPTL3MBTL1TDP1
SCHEMBL16905592 0.88 PDE4D (0.49) LTA4HMAPTL3MBTL1TDP1RECQL
SCHEMBL27831281 0.86 NR5A1 (0.63) PDK2LTA4HNR5A1ESR1
SCHEMBL23542472 0.86 RAB9A (0.44) MAPTL3MBTL1TDP1RECQLHPGD
SCHEMBL14601353 0.85 MAPT (0.46) PDK2LTA4HMAPTL3MBTL1TDP1
SCHEMBL17050179 0.85 PDK2 (0.52) PDK2LTA4HMAPTHPGDMEN1
SCHEMBL12228055 0.85 PDK2 (0.52) PDK2LTA4HMAPTHPGDMEN1
SCHEMBL13729302 0.84 PDK2 (0.48) PDK2MAPTRECQLMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10007183-B2 Compound for forming organic film, and organic film composition using the same, process for forming organic film, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-06-26 US disclosed
US-9977330-B2 Compound for forming organic film, and organic film composition using the same, process for forming organic film, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-05-22 US disclosed
US-9261788-B2 Compound for forming organic film, and organic film composition using the same, process for forming organic film, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-02-16 US disclosed
US-20160027653-A1 COMPOUND FOR FORMING ORGANIC FILM, AND ORGANIC FILM COMPOSITION USING THE SAME, PROCESS FOR FORMING ORGANIC FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-01-28 US disclosed
US-20160018735-A1 COMPOUND FOR FORMING ORGANIC FILM, AND ORGANIC FILM COMPOSITION USING THE SAME, PROCESS FOR FORMING ORGANIC FILM, AND PATTERNING PROCESS SHINETSU CHEMICAL CO (JP) 2016-01-21 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 (2 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-10007183-B2 Compound for forming organic film, and organic film composition using the same, process for forming organic film, and patterning process OR10J3, RER1, OLA1 PDK2 4566/4885LTA4H 1757/4885MAPT 2618/4885
US-20160027653-A1 COMPOUND FOR FORMING ORGANIC FILM, AND ORGANIC FILM COMPOSITION USING THE SAME, PROCESS FOR FORMING ORGANIC FILM, AND PATTERNING PROCESS OR10J3, RER1, OLA1 PDK2 4566/4885LTA4H 1757/4885MAPT 2618/4885

“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.