SCHEMBL21433615

SCHEMBL21433615

CC(C)C(=NNC(=O)c1ccc(N)cc1O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 0.50
▸ GPR39 O43194 1/20 0.49
▸ KDM4E B2RXH2 7/20 0.49
▸ TDP1 Q9NUW8 4/20 0.49
▸ POLB P06746 2/20 0.49
▸ MAPT P10636 8/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ ALOX5 P09917 1/20 0.47
▸ KLKB1 P03952 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ PDE4A P27815 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
SCHEMBL21433603 0.82 GAA (0.47) GAAGPR39KDM4ETDP1POLB
SCHEMBL21433602 0.82 GAA (0.47) GAAGPR39KDM4ETDP1POLB
SCHEMBL21433613 0.78 MAPT (0.59) GAAGPR39KDM4ETDP1POLB
SCHEMBL21433614 0.78 MAPT (0.59) GAAGPR39KDM4ETDP1POLB
SCHEMBL21909574 0.78 MAPT (0.59) GAAGPR39KDM4ETDP1POLB
SCHEMBL21433599 0.77 GAA (0.48) GAAGPR39KDM4ETDP1POLB
SCHEMBL21433598 0.77 GAA (0.48) GAAGPR39KDM4ETDP1POLB
SCHEMBL22540082 0.74 GPR39 (0.47) GAAGPR39KDM4ETDP1POLB
SCHEMBL12216548 0.74 GAA (0.62) GAAKDM4ETDP1POLBMAPT
SCHEMBL17702734 0.74 MAPT (0.60) GAAKDM4ETDP1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339272-B2 Additive for rubber, rubber composition, and tire using the same BRIDGESTONE CORPORATION (JP) 2022-05-24 — — US disclosed
US-11339272-B2 Additive for rubber, rubber composition, and tire using the same BRIDGESTONE CORPORATION (JP) 2022-05-24 — — US disclosed
US-20210171744-A1 TIRE RUBBER COMPOSITION AND TIRE BRIDGESTONE CORPORATION (JP) 2021-06-10 — — US disclosed
US-20210108048-A1 ADDITIVE FOR RUBBER, RUBBER COMPOSITION, AND TIRE USING THE SAME BRIDGESTONE CORPORATION (JP) 2021-04-15 — — US disclosed
US-20210108048-A1 ADDITIVE FOR RUBBER, RUBBER COMPOSITION, AND TIRE USING THE SAME BRIDGESTONE CORPORATION (JP) 2021-04-15 — — US disclosed
US-20200109263-A1 TIRE RUBBER COMPOSITION AND TIRE BRIDGESTONE CORPORATION (JP) 2020-04-09 — — US disclosed
EP-3549979-A1 RUBBER ADDITIVE, RUBBER COMPOSITION, AND TIRE IN WHICH SAME IS USED Bridgestone Corporation (JP) 2019-10-09 — — EP 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-20210108048-A1 ADDITIVE FOR RUBBER, RUBBER COMPOSITION, AND TIRE USING THE SAME HEATR1, HRH2, ATR GAA 4469/4885GPR39 3624/4885KDM4E 3010/4885
US-11339272-B2 Additive for rubber, rubber composition, and tire using the same HEATR1, HRH2, ATR GAA 4469/4885GPR39 3624/4885KDM4E 3010/4885

“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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