SCHEMBL22922483

SCHEMBL22922483

O=C1[C@@H]2[C@H](C(=O)N1O)[C@H]1C=C[C@@H]2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
TDP1 Q9NUW8 1/20 1.00
SMN1; SMN2 Q16637 5/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RAB9A P51151 2/20 0.53
HTT P42858 3/20 0.53
USP2 O75604 3/20 0.53
TSHR P16473 2/20 0.53
HSD17B10 Q99714 2/20 0.53
RECQL P46063 2/20 0.52
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.46
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL29900107 1.00 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2L3MBTL1MEN1
SCHEMBL6052 1.00 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2L3MBTL1MEN1
SCHEMBL18049094 1.00 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2L3MBTL1MEN1
SCHEMBL18386589 1.00 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2L3MBTL1MEN1
SCHEMBL525258 1.00 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2L3MBTL1MEN1
SCHEMBL30734372 1.00 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2L3MBTL1MEN1
SCHEMBL31289550 0.86 ALDH1A1 (0.75) ALDH1A1TDP1SMN1; SMN2L3MBTL1KMT2A
Toluene SCHEMBL29171791 0.84 ALDH1A1 (0.70) ALDH1A1TDP1SMN1; SMN2L3MBTL1MEN1
SCHEMBL28408842 0.80 ALDH1A1 (0.64) ALDH1A1TDP1SMN1; SMN2L3MBTL1MEN1
SCHEMBL16592563 0.78 ALDH1A1 (0.64) ALDH1A1TDP1SMN1; SMN2L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11338038-B2 Branched multi-functional macromonomers and related polymers and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-05-24 US disclosed
US-20210130525-A1 Functional Bottlebrush Polymers FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2021-05-06 US disclosed
US-20210023224-A1 BRANCHED MULTI-FUNCTIONAL MACROMONOMERS AND RELATED POLYMERS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2021-01-28 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 (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-11338038-B2 Branched multi-functional macromonomers and related polymers and uses thereof MSN, CAD, NEDD8 ALDH1A1 469/4885TDP1 2521/4885SMN1; SMN2 2082/4885
US-20210023224-A1 BRANCHED MULTI-FUNCTIONAL MACROMONOMERS AND RELATED POLYMERS AND USES THEREOF MSN, CAD, NEDD8 ALDH1A1 469/4885TDP1 2521/4885SMN1; SMN2 2082/4885

“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.