SCHEMBL22639784

SCHEMBL22639784

O=C(NC1CCCCCC1)c1c(O)c2ccccc2[nH]c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 1.00
NPC1 O15118 7/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
RXFP1 Q9HBX9 2/20 1.00
POLB P06746 2/20 1.00
MEN1 O00255 5/20 0.88
KMT2A Q03164 5/20 0.88
KDM4E B2RXH2 8/20 0.67
ALDH1A1 P00352 3/20 0.67
HSD17B10 Q99714 2/20 0.67
GAA P10253 2/20 0.67
HPGD P15428 1/20 0.67
NLRP3 Q96P20 1/20 0.61
LMNA P02545 2/20 0.60
MAPT P10636 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
PPARG P37231 1/20 0.57
NCOA2 Q15596 1/20 0.57
PKM P14618 1/20 0.56

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
SCHEMBL1622809 1.00 RAB9A (1.00) RAB9ANPC1SMN1; SMN2RXFP1POLB
SCHEMBL13597998 0.84 KMT2A (0.82) RAB9ANPC1SMN1; SMN2RXFP1POLB
SCHEMBL5529629 0.83 NPC1 (0.71) RAB9ANPC1SMN1; SMN2RXFP1POLB
SCHEMBL13598070 0.83 NPC1 (0.71) RAB9ANPC1SMN1; SMN2RXFP1POLB
SCHEMBL7444121 0.83 NPC1 (0.71) RAB9ANPC1SMN1; SMN2RXFP1POLB
SCHEMBL7435902 0.81 KMT2A (0.72) RAB9ANPC1SMN1; SMN2RXFP1POLB
SCHEMBL4698095 0.81 NPC1 (0.68) RAB9ANPC1SMN1; SMN2RXFP1POLB
SCHEMBL24130834 0.79 RAB9A (0.66) RAB9ANPC1SMN1; SMN2RXFP1POLB
SCHEMBL13597989 0.79 NPC1 (0.65) RAB9ANPC1SMN1; SMN2RXFP1POLB
SCHEMBL1395840 0.79 KDM4E (0.98) RAB9ANPC1SMN1; SMN2RXFP1POLB

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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-11-10 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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect VIM, MATR3, TP53 RAB9A 2614/4885NPC1 475/4885SMN1; SMN2 2515/4885

“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.