SCHEMBL21793229

SCHEMBL21793229

C=CCc1ccc(OCC(O)CNC(C)C)c(OC)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.77
LMNA P02545 5/20 0.77
SMN1; SMN2 Q16637 3/20 0.77
KDM4E B2RXH2 2/20 0.77
HTT P42858 2/20 0.77
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
GAA P10253 1/20 0.77
MAPT P10636 1/20 0.77
TSHR P16473 3/20 0.67
NPC1 O15118 1/20 0.67
TP53 P04637 1/20 0.67
RAB9A P51151 1/20 0.67
ADRB2 P07550 4/20 0.60
ADRB1 P08588 4/20 0.60
HTR1A P08908 2/20 0.60
SLC6A4 P31645 2/20 0.60
ADRA1A P35348 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2D6 P10635 2/20 0.60

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
SCHEMBL30001190 1.00 ALDH1A1 (0.77) ALDH1A1LMNASMN1; SMN2KDM4EHTT
SCHEMBL7318817 0.86 LMNA (0.55) ALDH1A1LMNASMN1; SMN2KDM4EHTT
SCHEMBL11593468 0.85 ALDH1A1 (0.69) ALDH1A1LMNASMN1; SMN2KDM4EHTT
Hydrochloric Acid SCHEMBL11590784 0.85 ALDH1A1 (0.67) ALDH1A1LMNASMN1; SMN2KDM4EHTT
SCHEMBL11858698 0.84 ADRB2 (0.53) ALDH1A1LMNASMN1; SMN2KDM4EHTT
SCHEMBL11045241 0.84 ALDH1A1 (0.87) ALDH1A1LMNASMN1; SMN2KDM4EHTT
SCHEMBL28224427 0.83 ALDH1A1 (0.82) ALDH1A1LMNASMN1; SMN2KDM4EHTT
SCHEMBL11594572 0.83 ALDH1A1 (0.85) ALDH1A1LMNASMN1; SMN2KDM4EHTT
SCHEMBL11593471 0.83 ALDH1A1 (0.85) ALDH1A1LMNASMN1; SMN2KDM4EHTT
SCHEMBL20552945 0.82 KMT2A (0.51) ALDH1A1LMNASMN1; SMN2KDM4EHTT

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-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF VEPACHEDU SREENIVASARAO (US) 2020-08-20 US disclosed
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-05 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-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2A, HTR2C, CYP3A43 ALDH1A1 235/4885LMNA 1421/4885SMN1; SMN2 955/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A ALDH1A1 501/4885LMNA 2085/4885SMN1; SMN2 676/4885

“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.