SCHEMBL545138

SCHEMBL545138

CC(O)C[N+](C)(C)Cc1cccc(OCCOc2cccc(C[N+](C)(C)CC(C)O)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 1/20 0.40
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.37
TAAR1 Q96RJ0 2/20 0.36
RAB9A P51151 1/20 0.36
GGPS1 O95749 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
SCHEMBL544056 0.87 CYP4F2 (0.51) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL544199 0.87 TAAR1 (0.51) CHRM2CHRM1CHRM3TAAR1
SCHEMBL9248085 0.77 TSHR (0.53) TSHRCHRM2CHRM1CHRM3KMT2A
Hydrochloric Acid SCHEMBL11518426 0.77 ELANE (0.36) KMT2ALMNA
Hydrochloric Acid SCHEMBL542558 0.76 TSHR (0.51) TSHRCHRM2CHRM1CHRM3KMT2A
SCHEMBL2349990 0.76 DNM1 (0.50) MAPK1TDP1TSHRCHRM3KDM4E
Hydrochloric Acid SCHEMBL6442683 0.74 ALDH1A1 (0.52) MAPK1TDP1TSHRCHRM2CHRM1
SCHEMBL24465407 0.73 CHRNA7 (0.65) MAPK1CHRM2CHRM1CHRM3KDM4E
SCHEMBL17400053 0.70 CYP2D6 (0.52) MAPK1L3MBTL1TSHRCYP2D6GGPS1
SCHEMBL15295402 0.68 ALDH1A1 (0.65) MAPK1L3MBTL1TDP1TSHRKDM4E

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 MAPK1 3122/4885L3MBTL1 4376/4885TDP1 2595/4885

“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.