SCHEMBL14252218

SCHEMBL14252218

CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=N)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 5/20 0.79
▸ MAPT P10636 4/20 0.79
▸ ABCC4 O15439 4/20 0.79
▸ ABCC2 Q92887 4/20 0.79
▸ TBXA2R P21731 3/20 0.79
▸ GAA P10253 3/20 0.79
▸ MAPK1 P28482 3/20 0.79
▸ ABCC3 O15438 3/20 0.79
▸ CHRM1 P11229 3/20 0.79
▸ NR1I2 O75469 3/20 0.79
▸ ALDH1A1 P00352 2/20 0.79
▸ SLCO2B1 O94956 2/20 0.79
▸ ADRA1A P35348 2/20 0.79
▸ SLCO1A2 P46721 2/20 0.79
▸ SLCO1B3 Q9NPD5 2/20 0.79
▸ SLCO1B1 Q9Y6L6 2/20 0.79
▸ KDM4E B2RXH2 2/20 0.79
▸ MEN1 O00255 2/20 0.79
▸ KMT2A Q03164 2/20 0.79
▸ TDP1 Q9NUW8 2/20 0.79

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
SCHEMBL13302850 0.94 ABCB11 (0.80) ABCB11MAPTABCC4ABCC2TBXA2R
SCHEMBL30063061 0.94 ABCB11 (0.80) ABCB11MAPTABCC4ABCC2TBXA2R
SCHEMBL29534651 0.94 ABCB11 (0.80) ABCB11MAPTABCC4ABCC2TBXA2R
SCHEMBL14356353 0.94 ABCB11 (0.80) ABCB11MAPTABCC4ABCC2TBXA2R
SCHEMBL23510705 0.93 MAPT (0.83) ABCB11MAPTABCC4ABCC2TBXA2R
SCHEMBL23541652 0.93 MAPT (0.83) ABCB11MAPTABCC4ABCC2TBXA2R
SCHEMBL23541658 0.93 ABCB11 (0.83) ABCB11MAPTABCC4ABCC2TBXA2R
SCHEMBL29559659 0.93 ABCB11 (0.83) ABCB11MAPTABCC4ABCC2TBXA2R
SCHEMBL23594215 0.93 ABCB11 (0.83) ABCB11MAPTABCC4ABCC2TBXA2R
SCHEMBL31447566 0.92 ABCB11 (0.83) ABCB11MAPTABCC4ABCC2TBXA2R

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-20080063681-A1 comprising calcium sulfate hemihydrate, calcium sulfate dihydrate, antibiotic mixture containing a tetracycline compound and an ansamycin compound; treating bone defects, bone infections, bone disorders; biodegradable; orthopedic prosthesis, bone void filler EBI, L.P. (US) 2008-03-13 — — 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-20080063681-A1 comprising calcium sulfate hemihydrate, calcium sulfate dihydrate, antibiotic mixture containing a tetracycline compound and an ansamycin compound; treating bone defects, bone infections, bone disorders; biodegradable; orthopedic prosthesis, bone void filler BMP2, BMP4, BMP1 ABCB11 511/4885MAPT 910/4885ABCC4 297/4885

“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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