SCHEMBL7030624

SCHEMBL7030624

CCN(C(=O)OC)c1ccc(C(CCN(Cc2ccccc2)C[C@H](O)COc2ccccc2)c2ccc(N(CC)C(=O)OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 3/20 0.48
GAA P10253 2/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 1/20 0.46
KCNH2 Q12809 1/20 0.43
GPR88 Q9GZN0 1/20 0.40
LMNA P02545 1/20 0.39
NR1H3 Q13133 1/20 0.39
ABCB1 P08183 2/20 0.39
ADRB1 P08588 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 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
SCHEMBL7023574 0.94 POLB (0.53) POLBALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL7021515 0.89 POLB (0.53) POLBALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL6322105 0.84 ALDH1A1 (0.58) POLBALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL6321886 0.82 ALDH1A1 (0.63) POLBALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL7688371 0.82 POLB (0.54) POLBALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL6321494 0.82 POLB (0.54) POLBALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL6321970 0.81 ALDH1A1 (0.59) POLBALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL6324149 0.80 POLB (0.60) POLBALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL7610975 0.80 POLB (0.60) POLBALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL7023503 0.80 MEN1 (0.64) CYP1A2CYP2D6ABCB1ADRB1MEN1

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-20030032834-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-13 US disclosed
EP-1257528-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-20 EP disclosed
WO-2001060786-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 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-20030032834-A1 Aminoalcohol derivatives ADRB1, ADRB2, ADRB3 POLB 3097/4885ALDH1A1 318/4885MAPT 2548/4885

“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.