SCHEMBL6859243

SCHEMBL6859243

COC(C)(C)OC(C(=O)O)C(NC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.51
HPGD P15428 1/20 0.51
HDAC1 Q13547 1/20 0.47
ALDH1A1 P00352 8/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
CTRB1 P17538 4/20 0.41
PRSS1 P07477 3/20 0.41
CTSG P08311 3/20 0.41
CMA1 P23946 3/20 0.41
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL6859238 1.00 LMNA (0.51) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL13621588 0.83 LMNA (0.59) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL13048136 0.83 LMNA (0.59) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL4185708 0.81 LMNA (0.50) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL14516389 0.79 ALDH1A1 (0.49) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL14574458 0.78 LMNA (0.56) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL14420891 0.77 LMNA (0.59) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL13426750 0.77 LMNA (0.59) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL5089394 0.76 LMNA (0.51) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL14370539 0.76 LMNA (0.51) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6784304-B2 USE OF OPTIONALLY N-PROTECTED 2,2-DIALKYL,4-SUBSTITUTED-5-CARBOXY-OXADIAZOLIDINES IN THE PREPARATION OF C-13 ACYLOXY SIDECHAIN-BEARING TAXANES SUCH AS PACLITAXEL BRISTOL-MYERS SQUIBB COMPANY 2004-08-31 US disclosed
US-20020161238-A1 Novel methods for the preparation of taxanes using oxazolidine intermediates THOTTATHIL JOHN K (US) 2002-10-31 US disclosed
US-6365750-B1 5-OXAZOLIDINECARBOXYLIC ACIDS FOR THE PREPARATION OF C-13 ACYLOXY SIDE CHAIN BEARING TAXANES E.G PACLITAXEL; COUPLING WITH A C-13 HYDROXYTAXANE FOLLOWED BY DECYCLIZATION OF THE OXAZOLIDINE RING BRISTOL MYERS SQUIBB COMP. 2002-04-02 US disclosed
EP-0735036-A1 Methods for the preparation of taxanes using oxazolidine intermediates BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-02 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 (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-20020161238-A1 Novel methods for the preparation of taxanes using oxazolidine intermediates TOP2A, TOP2B, CDK13 LMNA 1990/4885HPGD 1594/4885HDAC1 1353/4885

“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.