SCHEMBL26564931

SCHEMBL26564931

COc1cc(-c2cccc(CO[Si](C(C)C)(C(C)C)C(C)C)c2)c2cc(C(O)c3ccc(Cl)c(C)c3)ccc2n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.34
RORC P51449 4/20 0.33
MRGPRX4 Q96LA9 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
S1PR1 P21453 1/20 0.31
LTB4R Q15722 1/20 0.31
CASR P41180 1/20 0.31

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
SCHEMBL26565050 0.92 RORC (0.33) FFAR1RORCAKR1C3AKR1C2S1PR1
SCHEMBL26564974 0.90 CASR (0.33) FFAR1RORCLTB4RCASR
SCHEMBL26564919 0.89 SOS1 (0.33) FFAR1RORCLTB4RCASR
SCHEMBL26564929 0.86 MRGPRX4 (0.36) FFAR1MRGPRX4LTB4R
SCHEMBL26565122 0.82 CASR (0.32) LTB4RCASR
SCHEMBL25259300 0.79 L3MBTL1 (0.41) LTB4R
SCHEMBL31059229 0.79 L3MBTL1 (0.41) LTB4R
SCHEMBL26565048 0.78 LTB4R (0.35) FFAR1MRGPRX4LTB4R
SCHEMBL26565190 0.78 LTB4R (0.36) RORCAKR1C3AKR1C2LTB4R
SCHEMBL26565316 0.77 LTB4R (0.33) RORCAKR1C3AKR1C2LTB4R

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-12018011-B2 Macrocyclic compounds and compositions, and methods of preparing and using the same KURA ONCOLOGY, INC. (US) 2024-06-25 US disclosed
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME WUXI APPTEC (HONG KONG) LIMITED (CN) 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 (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-12018011-B2 Macrocyclic compounds and compositions, and methods of preparing and using the same FNTA, FDPS, GGPS1 FFAR1 2973/4885RORC 612/4885MRGPRX4 3118/4885
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME FNTA, FDPS, GGPS1 FFAR1 2973/4885RORC 612/4885MRGPRX4 3118/4885

“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.