SCHEMBL26529969

SCHEMBL26529969

CC(C)c1noc(CC2CCN(C(=O)c3ccco3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.52
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 8/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
PKM P14618 2/20 0.47
GLA P06280 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 4/20 0.46
TSHR P16473 4/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 2/20 0.45
HIF1A Q16665 2/20 0.45
GPR119 Q8TDV5 1/20 0.45
CYP2D6 P10635 2/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL38663614 0.83 ALDH1A1 (0.52) CHRM2ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL23260550 0.80 CHRM2 (0.47) CHRM2NPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL26529992 0.77 ALDH1A1 (0.51) CHRM2NPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL26535355 0.77 LMNA (0.48) SMN1; SMN2LMNAPOLB
SCHEMBL7238822 0.76 ALDH1A1 (0.64) CHRM2ALDH1A1SMN1; SMN2PKMLMNA
SCHEMBL23260551 0.76 NR2E1 (0.43) ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL38663578 0.75 HRH4 (0.54) NPC1MEN1KMT2A
SCHEMBL26529968 0.75 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2L3MBTL1LMNAKMT2A
SCHEMBL38664128 0.75 KMT2A (0.42) NPC1LMNAMEN1KMT2AHTT
SCHEMBL38664002 0.74 NPC1 (0.54) NPC1ALDH1A1SMN1; SMN2LMNATSHR

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-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-12 US disclosed
US-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-12 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-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS YTHDF1, YTHDF3, YTHDF2 CHRM2 4621/4885NPC1 2308/4885ALDH1A1 4553/4885

“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.