SCHEMBL5023224

SCHEMBL5023224

COc1ccc([C@@H](NC=O)c2ccc(OCC(=O)O)cc2)c(OC)c1.OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ LMNA P02545 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PTPN1 P18031 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ TAS1R3 Q7RTX0 2/20 0.35
▸ TAS1R1 Q7RTX1 2/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL29368397 0.82 KMT2A (0.45) NPC1RAB9ATHRATHRBKMT2A
SCHEMBL1000962 0.82 KMT2A (0.45) NPC1RAB9ATHRATHRBKMT2A
SCHEMBL3367289 0.82 KMT2A (0.45) NPC1RAB9ATHRATHRBKMT2A
SCHEMBL31146900 0.82 KMT2A (0.45) NPC1RAB9ATHRATHRBKMT2A
SCHEMBL29470540 0.82 KMT2A (0.45) NPC1RAB9ATHRATHRBKMT2A
SCHEMBL1745934 0.82 KMT2A (0.45) NPC1RAB9ATHRATHRBKMT2A
SCHEMBL3367291 0.77 THRA (0.41) NPC1RAB9ATHRATHRBKMT2A
SCHEMBL1000960 0.77 THRA (0.41) NPC1RAB9ATHRATHRBKMT2A
SCHEMBL14381016 0.76 LMNA (0.50) KMT2AMEN1LMNASMN1; SMN2HTT
SCHEMBL14416300 0.76 KMT2A (0.42) NPC1RAB9AKMT2AMEN1LMNA

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-7375099-B2 secretase inhibitors; therapy for Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-05-20 — — US disclosed
US-20040220222-A1 Malonamide derivatives F. HOFFMAN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-11-04 — — 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-20040220222-A1 Malonamide derivatives BACE1, BACE2, APP NPC1 865/4885RAB9A 547/4885THRA 3402/4885

“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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