SCHEMBL26327630

SCHEMBL26327630

CCCOC(=O)C(C(=O)OCCC)N(CC(F)(F)F)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ALDH1A1 P00352 4/20 0.41
NR1H2 P55055 5/20 0.39
NR1H3 Q13133 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
GAA P10253 1/20 0.37
CYP3A4 P08684 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
NR1I2 O75469 2/20 0.35
PDK2 Q15119 1/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL25440061 0.82 TSHR (0.40) LMNAALDH1A1NR1H2NR1H3SMN1; SMN2
SCHEMBL26327639 0.82 ALDH1A1 (0.37) LMNAALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL26327664 0.80 LMNA (0.45) LMNAALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL26327797 0.80 LMNA (0.45) LMNAALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL26327731 0.78 LMNA (0.43) LMNAALDH1A1CYP1A2CYP2D6
SCHEMBL26325985 0.77 LMNA (0.51) LMNAALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL26327619 0.76 LMNA (0.50) LMNAALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL11681532 0.76 RAD52 (0.39) LMNAALDH1A1NR1H2NR1H3SMN1; SMN2
SCHEMBL11680056 0.72 KCNH2 (0.42) LMNAALDH1A1NR1H2NR1H3SMN1; SMN2
SCHEMBL26327819 0.71 LMNA (0.45) LMNAALDH1A1SMN1; SMN2CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents PNMT, NCL, NPM1 LMNA 167/4885ALDH1A1 1805/4885NR1H2 3952/4885

“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.