SCHEMBL26338449

SCHEMBL26338449

CC(C)CCOC(=O)C(C)CN

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CYP19A1 P11511 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
GABRR1 P24046 2/20 0.37
MAPK1 P28482 3/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL22926643 0.82 GABRR1 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL6818831 0.80 HCAR2 (0.38) ALDH1A1TDP1GABRR1MAPK1HSD17B10
SCHEMBL26338020 0.80 ALDH1A1 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL7223762 0.80 CA1 (0.43) CA12CA1CA2CA9CYP19A1
SCHEMBL891188 0.80 CA12 (0.43) CA12CA1CA2CA9CYP19A1
SCHEMBL8954891 0.80 CA12 (0.43) CA12CA1CA2CA9CYP19A1
SCHEMBL7219101 0.78 CA12 (0.42) CA12CA1CA2CA9CYP19A1
SCHEMBL29006980 0.78 BLM (0.50) CA12CA1CA2CA9CYP19A1
SCHEMBL8925042 0.78 GABRR1 (0.32) CHRNB2CHRNA4CHRNB4CHRNA3GABRR1
SCHEMBL4672705 0.77 CHRNB2 (0.45) CA12CA1CA2CA9CYP19A1

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-20230302155-A1 COMPOSITIONS AND METHODS FOR IN VIVO GENERATION OF CAR EXPRESSING CELLS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2023-09-28 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-20230302155-A1 COMPOSITIONS AND METHODS FOR IN VIVO GENERATION OF CAR EXPRESSING CELLS CD47, HAVCR2, PBK CA12 391/4885CA1 840/4885CA2 3281/4885

“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.