SCHEMBL24037771

SCHEMBL24037771

CCCc1ccc(OC(C)(C)C)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.44
▸ GABRA1 P14867 5/20 0.42
▸ GABRB2 P47870 5/20 0.42
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ATM Q13315 2/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL24038015 0.84 GAA (0.46) GAASMN1; SMN2ALDH1A1KDM4EATM
SCHEMBL13181092 0.80 GAA (0.69) GAAGABRA1GABRB2GABRA5GABRA3
SCHEMBL24037804 0.78 S1PR1 (0.46) GABRA1GABRB2CNR1CNR2ALOX5
SCHEMBL13081244 0.75 SMN1; SMN2 (0.51) GLASMN1; SMN2ALDH1A1KDM4EATM
SCHEMBL12001793 0.74 ALDH1A1 (0.48) GAASMN1; SMN2ALDH1A1KDM4EATM
SCHEMBL5604961 0.73 SKP2 (0.53) GAAGABRA1GABRB2SKP2CNR1
SCHEMBL3788823 0.72 TP53 (0.46) GAASKP2CNR1CNR2GLA
SCHEMBL18579473 0.72 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1MEN1TP53MAPT
SCHEMBL3787529 0.72 ALDH1A1 (0.53) GAASMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL6793192 0.71 ALOX15 (0.55) GAAGABRA1GABRB2GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11730817-B2 Pro-cyclic dinucleotides and pro-cyclic dinucleotide conjugates for cytokine induction INVIVOGEN (FR) 2023-08-22 — — US disclosed
US-20210353760-A1 PRO-CYCLIC DINUCLEOTIDES AND PRO-CYCLIC DINUCLEOTIDE CONJUGATES FOR CYTOKINE INDUCTION INVIVOGEN (FR) 2021-11-18 — — 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 (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-11730817-B2 Pro-cyclic dinucleotides and pro-cyclic dinucleotide conjugates for cytokine induction STING1, CGAS, TLR9 GAA 369/4885GABRA1 2599/4885GABRB2 2952/4885
US-20210353760-A1 PRO-CYCLIC DINUCLEOTIDES AND PRO-CYCLIC DINUCLEOTIDE CONJUGATES FOR CYTOKINE INDUCTION STING1, CGAS, TLR9 GAA 369/4885GABRA1 2599/4885GABRB2 2952/4885

“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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