SCHEMBL544197

SCHEMBL544197

COCC(O)C[N+](C)(C)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DNM1 Q05193 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 3/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37

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
SCHEMBL12938337 0.87 KDM4E (0.50) KDM4EALDH1A1TDP1DNM1MEN1
SCHEMBL13380707 0.85 KDM4E (0.54) KDM4EALDH1A1TDP1DNM1MEN1
Hydrochloric Acid SCHEMBL4650870 0.85 KDM4E (0.54) KDM4EALDH1A1TDP1DNM1MEN1
SCHEMBL13592680 0.85 KDM4E (0.54) KDM4EALDH1A1TDP1DNM1MEN1
SCHEMBL544054 0.83 CA1 (0.58) ALDH1A1MEN1KMT2AMAPK1HTT
SCHEMBL544890 0.82 KDM4E (0.45) KDM4EALDH1A1TDP1DNM1MEN1
Water SCHEMBL30365140 0.81 KDM4E (0.44) KDM4EALDH1A1TDP1DNM1MEN1
Hydrochloric Acid SCHEMBL27492797 0.81 KDM4E (0.48) KDM4EALDH1A1TDP1DNM1MEN1
SCHEMBL6878412 0.81 KDM4E (0.44) KDM4EALDH1A1TDP1DNM1MEN1
Hydrochloric Acid SCHEMBL542557 0.79 ALDH1A1 (0.47) MAPTKDM4EALDH1A1TDP1DNM1

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 MAPT 4662/4885KDM4E 4002/4885ALDH1A1 4381/4885

“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.