SCHEMBL26328003

SCHEMBL26328003

CCCOC(=O)C(C(=O)OCCC)N(c1cc(C)cc(F)c1)c1cc(C)cc(F)c1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LMNA P02545 2/20 0.31
PTGIR P43119 1/20 0.31
HTT P42858 1/20 0.31
ESR1 P03372 1/20 0.30
CHRM1 P11229 1/20 0.30
TSHR P16473 1/20 0.30
SLC6A2 P23975 1/20 0.30
KDR P35968 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CXCR2 P25025 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL26327885 0.86 LMNA (0.32) ALDH1A1LMNAHTTTSHRMAPT
SCHEMBL26327699 0.83 HDAC3 (0.33) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL26328016 0.82 HTT (0.35) ALDH1A1LMNAHTTESR1CHRM1
SCHEMBL26327860 0.80 MEN1 (0.39) ALDH1A1LMNATSHRSMN1; SMN2MAPT
SCHEMBL20565360 0.79 TDP1 (0.33) TDP1CXCR2MAPT
SCHEMBL26327935 0.77 POLB (0.40) ALDH1A1LMNAHTTESR1CHRM1
SCHEMBL26327878 0.76 FFAR1 (0.38) ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL26327869 0.76 NPC1 (0.40) ALDH1A1LMNAHTTTSHRSMN1; SMN2
SCHEMBL26328011 0.75 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL26327831 0.74 ALDH1A1 (0.41) ALDH1A1LMNAHTTTDP1SMN1; SMN2

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 ALDH1A1 1805/4885HDAC3 2520/4885HDAC1 2642/4885

“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.