SCHEMBL25937463

SCHEMBL25937463

O=C1N[C@H](Cc2ccc(OCC3CO3)cc2)C(=O)N[C@H]1Cc1ccc(OCC2CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
PKM P14618 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
HRH3 Q9Y5N1 5/20 0.44
HPGD P15428 4/20 0.43
TP53 P04637 3/20 0.43
TSHR P16473 3/20 0.43
MAPT P10636 2/20 0.43
HIF1A Q16665 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
PPARG P37231 1/20 0.43
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PARP15 Q460N3 2/20 0.41
PARP10 Q53GL7 2/20 0.41
PARP2 Q9UGN5 1/20 0.40

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
SCHEMBL25937575 1.00 ALDH1A1 (0.47) ALDH1A1PKMLMNAGAATDP1
SCHEMBL22201743 0.93 ALDH1A1 (0.53) ALDH1A1PKMLMNAGAATDP1
SCHEMBL22191192 0.93 ALDH1A1 (0.53) ALDH1A1PKMLMNAGAATDP1
SCHEMBL25937503 0.84 ALDH1A1 (0.44) ALDH1A1PKMLMNAGAATDP1
SCHEMBL25937789 0.84 KMT2A (0.44) ALDH1A1PKMLMNAGAATDP1
SCHEMBL25937571 0.83 HRH3 (0.46) GAAHRH3HPGDKMT2AGRM2
SCHEMBL25937809 0.83 HRH3 (0.43) ALDH1A1PKMLMNAGAATDP1
SCHEMBL22201878 0.82 HRH3 (0.58) ALDH1A1PKMLMNAGAATDP1
SCHEMBL24162986 0.82 HRH3 (0.45) ALDH1A1PKMLMNAGAATDP1
SCHEMBL10808224 0.81 TDP1 (0.66) ALDH1A1PKMLMNAGAATDP1

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-20230242491-A1 DIMERS FROM BIOREACHABLE MOLECULES AS COPOLYMERS ZYMERGEN INC. (US) 2023-08-03 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-20230242491-A1 DIMERS FROM BIOREACHABLE MOLECULES AS COPOLYMERS HDHD5, HAO2, ALAD ALDH1A1 2236/4885PKM 1647/4885LMNA 4556/4885

“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.