SCHEMBL13021363

SCHEMBL13021363

C[C@@]1(F)[C@H](OC(=O)c2ccccc2)C(COC(=O)c2ccccc2)O[C@@H]1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.50
▸ POLB P06746 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA5 P30532 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ CES2 O00748 1/20 0.38

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
SCHEMBL24371811 1.00 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL15304485 1.00 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL16576338 1.00 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL12482663 1.00 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL930473 1.00 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL14816712 0.90 ALDH1A1 (0.52) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL15444764 0.89 ALDH1A1 (0.46) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL2480916 0.88 UPP1 (0.47) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL2480919 0.88 UPP1 (0.47) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL2480913 0.88 UPP1 (0.47) ALDH1A1POLBGAAMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297079-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION CHIMERIX, INC. (US) 2010-11-25 — — US disclosed
US-20100297079-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION CHIMERIX, INC. (US) 2010-11-25 — — US disclosed
WO-2010135520-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION CHIMERIX, INC. (US) 2010-11-25 — — WO 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-20100297079-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION HAVCR2, EIF2AK2, OAT ALDH1A1 368/4885POLB 1641/4885GAA 459/4885

“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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