SCHEMBL24850408

SCHEMBL24850408

O=C(O)c1ccc(=O)n(-c2ccc3c(c2)OCCO3)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ GRK2 P25098 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ TSHR P16473 3/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ PKM P14618 1/20 0.43
▸ STIM1 Q13586 1/20 0.43
▸ ORAI1 Q96D31 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ CTNNB1 P35222 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SRD5A2 P31213 1/20 0.42

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
SCHEMBL30159448 1.00 PTGS1 (0.49) PTGS1PTGS2ALDH1A1MAPK1GRK2
SCHEMBL10059372 0.78 ALDH1A1 (0.50) PTGS1PTGS2ALDH1A1KMT2ATSHR
SCHEMBL24850242 0.75 CYP11B2 (0.42) ALDH1A1KMT2AMAPTKDM4E
SCHEMBL619634 0.75 MAPK1 (0.78) ALDH1A1MAPK1TSHRSTAT3PKM
SCHEMBL24850286 0.74 STING1 (0.39) ALDH1A1KMT2AHPGDMAPTKDM4E
SCHEMBL24849950 0.74 ALDH1A1 (0.37) ALDH1A1KMT2AHPGDMAPTKDM4E
SCHEMBL22923915 0.73 PTGS1 (0.44) PTGS1PTGS2ALDH1A1MAPK1GRK2
SCHEMBL182346 0.72 STIM1 (0.51) PTGS1PTGS2ALDH1A1MAPK1GRK2
SCHEMBL146048 0.72 KDM4E (0.56) ALDH1A1MAPK1TSHRHPGDNPSR1
Formaldehyde SCHEMBL27289523 0.72 MAPK1 (0.72) ALDH1A1MAPK1TSHRSTAT3PKM

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-20230002346-A1 NEW COMPOUNDS AND METHODS BenevolentAl Bio Limited (GB) 2023-01-05 — — 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-20230002346-A1 NEW COMPOUNDS AND METHODS ABL2, ABL1, ALK PTGS1 1671/4885PTGS2 2316/4885ALDH1A1 651/4885

“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.

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