SCHEMBL3354613

SCHEMBL3354613

COC(=O)C=CCNc1cc(Cl)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
HPGD P15428 2/20 0.48
TTR P02766 1/20 0.46
APP P05067 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KCNMA1 Q12791 7/20 0.45
PTPN1 P18031 1/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
TP53 P04637 2/20 0.41
ALOX15 P16050 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL3354607 1.00 POLB (0.49) POLBMEN1KMT2AHPGDTTR
SCHEMBL30929573 0.83 TTR (0.46) MEN1KMT2AHPGDTTRAPP
SCHEMBL7310907 0.72 ALDH1A1 (0.50) POLBMEN1KMT2AHPGDTTR
SCHEMBL7310914 0.72 ALDH1A1 (0.50) POLBMEN1KMT2AHPGDTTR
SCHEMBL17447412 0.69 HSD17B10 (0.52) POLBMEN1KMT2AHPGDLMNA
SCHEMBL7110060 0.69 POLB (0.51) POLBMEN1KMT2AHPGDL3MBTL1
SCHEMBL7254652 0.69 KCNMA1 (0.61) POLBMEN1KMT2AHPGDL3MBTL1
SCHEMBL31155851 0.69 MAPT (0.58) MEN1KMT2AHPGDTTRAPP
SCHEMBL18596299 0.69 LMNA (0.42) POLBMEN1KMT2AHPGDL3MBTL1
SCHEMBL5144511 0.69 POLB (0.86) POLBMEN1KMT2AHPGDL3MBTL1

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
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 POLB 3780/4885MEN1 4595/4885KMT2A 3495/4885

“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.