SCHEMBL21886528

SCHEMBL21886528

O=C1CCCCCCCC/C=C\CCCCCCO1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.70
CA9 Q16790 2/20 0.70
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
GLS O94925 3/20 0.37
ATM Q13315 2/20 0.35
SHH Q15465 3/20 0.35
FKBP4 Q02790 3/20 0.35
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL7789754 1.00 CA1 (0.70) CA1CA9ALDH1A1LMNATP53
SCHEMBL15577080 1.00 CA1 (0.70) CA1CA9ALDH1A1LMNATP53
SCHEMBL22759100 1.00 CA1 (0.70) CA1CA9ALDH1A1LMNATP53
SCHEMBL1539181 1.00 CA1 (0.70) CA1CA9ALDH1A1LMNATP53
SCHEMBL1539182 1.00 CA1 (0.70) CA1CA9ALDH1A1LMNATP53
SCHEMBL8465823 1.00 CA1 (0.70) CA1CA9ALDH1A1LMNATP53
SCHEMBL23438526 1.00 CA1 (0.70) CA1CA9ALDH1A1LMNATP53
SCHEMBL22985856 1.00 CA1 (0.70) CA1CA9ALDH1A1LMNATP53
SCHEMBL21983880 1.00 CA1 (0.70) CA1CA9ALDH1A1LMNATP53
SCHEMBL5867308 1.00 CA1 (0.70) CA1CA9ALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807617-B2 Highly efficient synthesis of Z-macrocycles using stereoretentive, ruthenium-based metathesis catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-11-07 US disclosed
US-20210355099-A1 HIGHLY EFFICIENT SYNTHESIS OF Z-MACROCYCLES USING STEREORETENTIVE, RUTHENIUM-BASED METATHESIS CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-11-18 US disclosed
US-11161104-B2 Reactions of olefin derivatives in the presence of methathesis catalysts UMICORE AG & CO. KG 2021-11-02 US disclosed
US-11053209-B2 Highly efficient synthesis of z-macrocycles using stereoretentive, ruthenium-based metathesis catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-07-06 US disclosed
US-20210046466-A1 REACTIONS OF OLEFIN DERIVATIVES IN THE PRESENCE OF METHATHESIS CATALYSTS UMICORE AG & CO. KG (DE) 2021-02-18 US disclosed
US-20200102285-A1 A HIGHLY EFFICIENT SYNTHESIS OF Z-MACROCYLCES USING STEREORETENTIVE, RUTHENIUM-BASED METATHESIS CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-04-02 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 (6 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-20210046466-A1 REACTIONS OF OLEFIN DERIVATIVES IN THE PRESENCE OF METHATHESIS CATALYSTS MDK, MTR, MUSK CA1 3731/4885CA9 4627/4885ALDH1A1 1302/4885
US-11161104-B2 Reactions of olefin derivatives in the presence of methathesis catalysts MDK, MTR, MUSK CA1 3731/4885CA9 4627/4885ALDH1A1 1302/4885
US-20210355099-A1 HIGHLY EFFICIENT SYNTHESIS OF Z-MACROCYCLES USING STEREORETENTIVE, RUTHENIUM-BASED METATHESIS CATALYSTS ZKSCAN2, ZYX, SPR CA1 1763/4885CA9 1898/4885ALDH1A1 4142/4885
US-11807617-B2 Highly efficient synthesis of Z-macrocycles using stereoretentive, ruthenium-based metathesis catalysts ZKSCAN2, ZYX, SPR CA1 1763/4885CA9 1898/4885ALDH1A1 4142/4885
US-20200102285-A1 A HIGHLY EFFICIENT SYNTHESIS OF Z-MACROCYLCES USING STEREORETENTIVE, RUTHENIUM-BASED METATHESIS CATALYSTS ZKSCAN2, ZYX, ZC3H18 CA1 1838/4885CA9 1670/4885ALDH1A1 4314/4885
US-11053209-B2 Highly efficient synthesis of z-macrocycles using stereoretentive, ruthenium-based metathesis catalysts ZKSCAN2, ZYX, SPR CA1 1763/4885CA9 1898/4885ALDH1A1 4142/4885

“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.