SCHEMBL21691058

SCHEMBL21691058

CC(C)CNCCNCC(O)CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ANPEP P15144 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
TYMP P19971 1/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.31

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
SCHEMBL4935953 0.90 LMNA (0.40) ALDH1A1LMNATSHRTDP1ANPEP
SCHEMBL5908059 0.90 LMNA (0.40) ALDH1A1LMNATSHRTDP1ANPEP
SCHEMBL14663224 0.85 LMNA (0.44) ALDH1A1LMNATSHRKDM4ETYMP
SCHEMBL19708448 0.84 MEN1 (0.44) ALDH1A1LMNATSHRTDP1ANPEP
SCHEMBL24525596 0.84 TDP1 (0.39) ALDH1A1LMNATDP1KDM4EMEN1
SCHEMBL25554252 0.82 LMNA (0.33) ALDH1A1LMNATDP1KDM4ETYMP
SCHEMBL25554534 0.82 LMNA (0.33) ALDH1A1LMNATDP1KDM4ETYMP
SCHEMBL25554707 0.82 LMNA (0.33) ALDH1A1LMNATDP1KDM4ETYMP
Acetone SCHEMBL7127314 0.81 LMNA (0.36) ALDH1A1LMNAKDM4ETYMPCYP2C19
SCHEMBL18030759 0.81 KDM4E (0.38) ALDH1A1LMNAKDM4ETYMPTHRB

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-10927084-B2 Alkanolamine, friction-reducing agent, and lubricating oil composition TOSOH CORPORATION (JP) 2021-02-23 US disclosed
US-20200039942-A1 ALKANOLAMINE, FRICTION-REDUCING AGENT, AND LUBRICATING OIL COMPOSITION TOSOH CORPORATION (JP) 2020-02-06 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-20200039942-A1 ALKANOLAMINE, FRICTION-REDUCING AGENT, AND LUBRICATING OIL COMPOSITION APOB, HRH3, PHOSPHO1 ALDH1A1 397/4885LMNA 3403/4885TSHR 1859/4885
US-10927084-B2 Alkanolamine, friction-reducing agent, and lubricating oil composition APOB, HRH3, PHOSPHO1 ALDH1A1 397/4885LMNA 3403/4885TSHR 1859/4885

“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.