SCHEMBL21448971

SCHEMBL21448971

CNC(=O)Cc1coc(C(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
HDAC4 P56524 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
IDH1 O75874 1/20 0.31
DPP4 P27487 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL17653831 0.81 ALDH1A1 (0.38) LMNAGAAHPGDSMN1; SMN2
SCHEMBL26334570 0.78 CDK8 (0.38) LMNAGAATSHRKMT2AHPGD
SCHEMBL21366516 0.74 HDAC4 (0.38) LMNAGAATSHRKMT2AHPGD
SCHEMBL20012987 0.73 MTNR1A (0.40) LMNATSHRKMT2ASMN1; SMN2TP53
SCHEMBL10271622 0.71 ESR1 (0.30)
SCHEMBL13555796 0.71 ALDH1A1 (0.39)
SCHEMBL23075009 0.70
SCHEMBL28048195 0.69 GABRA5 (0.34) LMNAGAATSHRKMT2A
SCHEMBL10058005 0.68 NOS3 (0.32)
SCHEMBL16768040 0.68 SLC6A3 (0.43) GAAKMT2AHPGDSMN1; SMN2TP53

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-20190307731-A1 ARYL HYDROCARBON RECEPTOR MODULATOR ARIAGEN, INC. (US) 2019-10-10 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-20190307731-A1 ARYL HYDROCARBON RECEPTOR MODULATOR AHR, ARNT, NR1H4 LMNA 3934/4885GAA 4860/4885TSHR 41/4885

“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.