SCHEMBL22201743

SCHEMBL22201743

O=C1N[C@H](Cc2ccc(OCC3CO3)cc2)C(=O)N[C@H]1Cc1ccc(OCC2CO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
PKM P14618 2/20 0.53
GAA P10253 2/20 0.53
LMNA P02545 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 4/20 0.49
TP53 P04637 3/20 0.49
TSHR P16473 3/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
HIF1A Q16665 2/20 0.49
CYP1A2 P05177 1/20 0.49
PPARG P37231 1/20 0.49
HRH3 Q9Y5N1 5/20 0.48
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.38
POLB P06746 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL22191192 1.00 ALDH1A1 (0.53) ALDH1A1PKMGAALMNATDP1
SCHEMBL25937575 0.93 ALDH1A1 (0.47) ALDH1A1PKMGAALMNATDP1
SCHEMBL25937463 0.93 ALDH1A1 (0.47) ALDH1A1PKMGAALMNATDP1
SCHEMBL25937503 0.90 ALDH1A1 (0.44) ALDH1A1PKMGAALMNATDP1
SCHEMBL25937789 0.90 KMT2A (0.44) ALDH1A1PKMGAALMNATDP1
SCHEMBL22201878 0.88 HRH3 (0.58) ALDH1A1PKMGAALMNATDP1
SCHEMBL25937488 0.87 HRH3 (0.50) ALDH1A1PKMGAALMNAKMT2A
SCHEMBL25937809 0.83 HRH3 (0.43) ALDH1A1PKMGAALMNATDP1
SCHEMBL22201744 0.83 ALDH1A1 (0.60) ALDH1A1PKMGAALMNATDP1
SCHEMBL24163841 0.83 HRH3 (0.39) ALDH1A1PKMGAALMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242491-A1 DIMERS FROM BIOREACHABLE MOLECULES AS COPOLYMERS ZYMERGEN INC. (US) 2023-08-03 US disclosed
US-20230242720-A1 MODULUS MODIFIERS AND FILMS THEREOF ZYMERGEN ACQUISITION SUB, INC. 2023-08-03 US disclosed
WO-2022006145-A1 MODULUS MODIFIERS AND FILMS THEREOF ZYMERGEN INC. (US) 2022-01-06 WO disclosed
WO-2022006023-A1 DIMERS FROM BIOREACHABLE MOLECULES AS COPOLYMERS ZYMERGEN INC. (US) 2022-01-06 WO disclosed
WO-2020142450-A1 POLYMER COMPOSITIONS COMPRISING COMPOUNDS DERIVED FROM BIOLOGY ZYMERGEN INC. (US) 2020-07-09 WO 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-20230242491-A1 DIMERS FROM BIOREACHABLE MOLECULES AS COPOLYMERS HDHD5, HAO2, ALAD ALDH1A1 2236/4885PKM 1647/4885GAA 2564/4885
US-20230242720-A1 MODULUS MODIFIERS AND FILMS THEREOF SHBG, PTMS, SERPINA6 ALDH1A1 4761/4885PKM 1286/4885GAA 4830/4885

“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.