SCHEMBL26527397

SCHEMBL26527397

CCCC(C)c1cc(C(=O)OCC)no1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
ALDH1A1 P00352 5/20 0.43
TP53 P04637 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 3/20 0.42
ACR P10323 1/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP2C19 P33261 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL20738260 0.88 THRB (0.47) THRBALDH1A1TP53HPGDMEN1
SCHEMBL1090847 0.84 THRB (0.59) THRBALDH1A1TP53HPGDMEN1
SCHEMBL346323 0.83 THRB (0.48) THRBALDH1A1TP53HPGDMEN1
SCHEMBL9259866 0.81 THRB (0.47) THRBALDH1A1TP53HPGDMEN1
SCHEMBL12775995 0.81 THRB (0.47) THRBALDH1A1TP53HPGDMEN1
SCHEMBL13962011 0.81 THRB (0.47) THRBALDH1A1TP53HPGDMEN1
SCHEMBL26523800 0.81 SMN1; SMN2 (0.39) ALDH1A1TP53HPGDMEN1KMT2A
SCHEMBL23559144 0.81 THRB (0.46) THRBALDH1A1TP53HPGDMEN1
SCHEMBL13732556 0.80 THRB (0.46) THRBALDH1A1TP53HPGDMEN1
SCHEMBL25246107 0.80 THRB (0.48) THRBALDH1A1TP53HPGDMEN1

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-20230321091-A1 SUBSTITUTED PYRIDAZINONES FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES EDGEWISE THERAPEUTICS, INC. 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-20230321091-A1 SUBSTITUTED PYRIDAZINONES FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES IL6, MUSK, SMN1; SMN2 THRB 3010/4885ALDH1A1 308/4885TP53 4843/4885

“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.