SCHEMBL544055

SCHEMBL544055

CC(O)Cc1c(OCc2ccccc2)cccc1C(C)(C)N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
KDM4E B2RXH2 2/20 0.42
LIPE Q05469 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
ALDH1A1 P00352 2/20 0.40
F9 P00740 1/20 0.40
F10 P00742 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39

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
SCHEMBL544198 0.81 HPGD (0.34) MAPK1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL10746625 0.81 TDP1 (0.51) TDP1MAPK1MAPTL3MBTL1KDM4E
SCHEMBL448037 0.79 RXRA (0.55) TDP1MAPK1MAPTL3MBTL1RXRA
SCHEMBL10746628 0.77 TDP1 (0.47) TDP1MAPK1MAPTL3MBTL1KDM4E
SCHEMBL10748465 0.75 TDP1 (0.45) TDP1MAPK1MAPTL3MBTL1KDM4E
SCHEMBL15701376 0.73 HTR1A (0.57) TDP1MAPK1MAPTL3MBTL1KDM4E
SCHEMBL15701381 0.73 HTR1A (0.57) TDP1MAPK1MAPTL3MBTL1KDM4E
SCHEMBL9248083 0.72 HPGD (0.36) L3MBTL1ALDH1A1SMN1; SMN2HPGDHTT
Hydrochloric Acid SCHEMBL9253661 0.71 HPGD (0.35) MAPTL3MBTL1ALDH1A1LMNAHPGD
SCHEMBL8027909 0.70 RXRA (0.53) TDP1MAPK1MAPTL3MBTL1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110707-B2 Surfactant AISIN AW CO., LTD. (JP) 2012-02-07 US disclosed
US-20100191014-A1 SURFACTANT AISIN AW CO., LTD (JP) 2010-07-29 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-20100191014-A1 SURFACTANT SLC27A1, LIPA, ABHD16A TDP1 2595/4885MAPK1 3122/4885MAPT 4662/4885

“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.